3-Amino-5-cyclohexylpyrazole - CAS 81542-54-3
Catalog: |
BB036666 |
Product Name: |
3-Amino-5-cyclohexylpyrazole |
CAS: |
81542-54-3 |
Synonyms: |
5-cyclohexyl-1H-pyrazol-3-amine; 5-cyclohexyl-1H-pyrazol-3-amine |
IUPAC Name: | 5-cyclohexyl-1H-pyrazol-3-amine |
Description: | 3-Amino-5-cyclohexylpyrazole (CAS# 81542-54-3 ) is a useful research chemical. |
Molecular Weight: | 165.24 |
Molecular Formula: | C9H15N3 |
Canonical SMILES: | C1CCC(CC1)C2=CC(=NN2)N |
InChI: | InChI=1S/C9H15N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,10,11,12) |
InChI Key: | FKGKCJWLTPEMRC-UHFFFAOYSA-N |
Boiling Point: | 381.9 °C at 760 mmHg |
Density: | 1.143 g/cm3 |
LogP: | 1.96970 |
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 |
CN-112778311-A | Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof | 20191101 |
WO-2020178316-A1 | 5- or 7-azaindazoles as beta-lactamase inhibitors | 20190305 |
AU-2018354777-A1 | Novel Pyrazolo-pyrrolo-pyrimidine-dione derivatives as P2X3 inhibitors | 20171027 |
WO-2019081343-A1 | NOVEL PYRAZOLO-PYRROLO-PYRIMIDINE-DIONE DERIVATIVES AS P2X3 INHIBITORS | 20171027 |
BR-112020008122-A2 | new pyrazolo-pyrrole-pyrimidine-dione derivatives as p2x3 inhibitors | 20171027 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.126597491 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.126597491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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Amines and Anilines
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