1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylic Acid - CAS 5932-32-1
Catalog: |
BB030345 |
Product Name: |
1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylic Acid |
CAS: |
5932-32-1 |
Synonyms: |
1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid; 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid |
IUPAC Name: | 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid |
Description: | 1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylic Acid (CAS# 5932-32-1) is used in the synthetic preparation of pyrazole derivatives as partial agonists for nicotinic acid receptor. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | C1CC2=C(C1)NN=C2C(=O)O |
InChI: | InChI=1S/C7H8N2O2/c10-7(11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11) |
InChI Key: | FCYBBDFUBSEGMX-UHFFFAOYSA-N |
Boiling Point: | 430.7 °C at 760 mmHg |
Density: | 1.482 g/cm3 |
MDL: | MFCD01248822 |
LogP: | 0.59660 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020112581-A1 | Novel substituted piperazine amide compounds as indoleamine 2, 3-dioxygenase (ido) inhibitors | 20181128 |
EP-3886845-A1 | Novel substituted piperazine amide compounds as indoleamine 2, 3-dioxygenase (ido) inhibitors | 20181128 |
WO-2020092183-A1 | Novel substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors | 20181101 |
EP-3873464-A1 | Novel substituted pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors | 20181101 |
WO-2020081381-A1 | Novel arylalkyl pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors | 20181017 |
PMID | Publication Date | Title | Journal |
18983141 | 20081225 | Nicotinic acid receptor agonists | Journal of medicinal chemistry |
18665582 | 20080828 | 3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydro-cyclopentapyrazole (MK-0354): a partial agonist of the nicotinic acid receptor, G-protein coupled receptor 109a, with antilipolytic but no vasodilatory activity in mice | Journal of medicinal chemistry |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
12930155 | 20030828 | Pyrazole derivatives as partial agonists for the nicotinic acid receptor | Journal of medicinal chemistry |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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