3-Isopropylpyrazole-4-carboxylic acid - CAS 870704-28-2
Catalog: |
BB038230 |
Product Name: |
3-Isopropylpyrazole-4-carboxylic acid |
CAS: |
870704-28-2 |
Synonyms: |
5-propan-2-yl-1H-pyrazole-4-carboxylic acid |
IUPAC Name: | 5-propan-2-yl-1H-pyrazole-4-carboxylic acid |
Description: | 3-Isopropylpyrazole-4-carboxylic acid (CAS# 870704-28-2) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CC(C)C1=C(C=NN1)C(=O)O |
InChI: | InChI=1S/C7H10N2O2/c1-4(2)6-5(7(10)11)3-8-9-6/h3-4H,1-2H3,(H,8,9)(H,10,11) |
InChI Key: | SWNONMWOFAXQHM-UHFFFAOYSA-N |
Boiling Point: | 351 °C at 760 mmHg |
Density: | 1.247 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD05257952 |
LogP: | 1.23130 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020157076-A1 | Acly inhibitors and uses thereof | 20181116 |
WO-2020102616-A1 | Acly inhibitors and uses thereof | 20181116 |
US-2017173623-A1 | Device and method for producing coatings of porous coordination polymers by flow of reagents | 20151218 |
US-2019255510-A1 | Apparatus and method for producing films of porous coordination polymers by flow of reagents | 20151218 |
US-10344027-B2 | Compositions and methods for inhibiting kinases | 20150423 |
Complexity: | 159 |
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: | 2 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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