3-Propyl-1H-pyrazole-5-carboxylic acid - CAS 76424-47-0
Catalog: |
BB035569 |
Product Name: |
3-Propyl-1H-pyrazole-5-carboxylic acid |
CAS: |
76424-47-0 |
Synonyms: |
5-propyl-1H-pyrazole-3-carboxylic acid |
IUPAC Name: | 5-propyl-1H-pyrazole-3-carboxylic acid |
Description: | 3-Propyl-1H-pyrazole-5-carboxylic acid (CAS# 76424-47-0) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CCCC1=CC(=NN1)C(=O)O |
InChI: | InChI=1S/C7H10N2O2/c1-2-3-5-4-6(7(10)11)9-8-5/h4H,2-3H2,1H3,(H,8,9)(H,10,11) |
InChI Key: | QYPSYPPSHXDFLV-UHFFFAOYSA-N |
Boiling Point: | 383.1 °C at 760 mmHg |
Density: | 1.255 g/cm3 |
MDL: | MFCD02169458 |
LogP: | 1.06040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021010492-A1 | Compound having kdm5 inhibitory activity and pharmaceutical use thereof | 20190717 |
CN-109721538-A | A kind of novel synthesis of 1- methyl -3- propylpyrazol -5- carboxylic acid | 20171028 |
WO-2016120530-A1 | A carboxamide derivative and its diastereomers in stable crystalline form | 20150130 |
EP-3157938-A1 | Hetero functional binding systems | 20140617 |
US-2017115285-A1 | Hetero functional binding systems | 20140617 |
PMID | Publication Date | Title | Journal |
17804224 | 20071015 | Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
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: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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