3-Cyclohexyl-1H-pyrazole-4-carboxylic acid - CAS 874908-44-8
Catalog: |
BB038502 |
Product Name: |
3-Cyclohexyl-1H-pyrazole-4-carboxylic acid |
CAS: |
874908-44-8 |
Synonyms: |
5-cyclohexyl-1H-pyrazole-4-carboxylic acid |
IUPAC Name: | 5-cyclohexyl-1H-pyrazole-4-carboxylic acid |
Description: | 3-Cyclohexyl-1H-pyrazole-4-carboxylic acid (CAS# 874908-44-8) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C10H14N2O2 |
Canonical SMILES: | C1CCC(CC1)C2=C(C=NN2)C(=O)O |
InChI: | InChI=1S/C10H14N2O2/c13-10(14)8-6-11-12-9(8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)(H,13,14) |
InChI Key: | MOCBJMTUHWKNAQ-UHFFFAOYSA-N |
Boiling Point: | 402.6 °C at 760 mmHg |
Density: | 1.255 g/cm3 |
LogP: | 2.15560 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3490982-A1 | Pharmaceutical compounds | 20160726 |
KR-20190034564-A | Pharmaceutical compound | 20160726 |
US-2019233394-A1 | Pharmaceutical compounds | 20160726 |
WO-2018020242-A1 | Pharmaceutical compounds | 20160726 |
AU-2017304761-B2 | Pharmaceutical compounds | 20160726 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.105527694 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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