1-Isopropyl-1H-pyrazole-4-carboxylic acid - CAS 436096-96-7
Catalog: |
BB025435 |
Product Name: |
1-Isopropyl-1H-pyrazole-4-carboxylic acid |
CAS: |
436096-96-7 |
Synonyms: |
1-propan-2-ylpyrazole-4-carboxylic acid |
IUPAC Name: | 1-propan-2-ylpyrazole-4-carboxylic acid |
Description: | 1-Isopropyl-1H-pyrazole-4-carboxylic acid (CAS# 436096-96-7) is a useful research chemical. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CC(C)N1C=C(C=N1)C(=O)O |
InChI: | InChI=1S/C7H10N2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5H,1-2H3,(H,10,11) |
InChI Key: | VGEBYDKBJHWBGS-UHFFFAOYSA-N |
Boiling Point: | 297.2 °C at 760 mmHg |
MDL: | MFCD03701700 |
LogP: | 1.16220 |
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 |
US-2020317642-A1 | Amine-substituted heterocyclic compounds as ehmt2 inhibitors and derivatives thereof | 20171017 |
US-2020277287-A1 | Microbiocidal oxadiazole derivatives | 20170303 |
CN-109071550-B | Fused imidazole derivative with IDO/TDO inhibitory activity and preparation method and application thereof | 20160427 |
US-2017291917-A1 | Kinase inhibitors | 20160406 |
WO-2017093545-A1 | Anti-bacterial compounds based on amino-gold phosphine complexes | 20151202 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Pyrazoles
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