5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide

C17H20ClN3O — CID 728653

IUPAC5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NC1CCCCC1
InChIInChI=1S/C17H20ClN3O/c1-12-15(17(22)19-13-8-4-2-5-9-13)16(18)21(20-12)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,19,22)
InChIKeyBFJYNBFFHQILFL-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.90
Rot. Bonds3

About 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 728653) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID728653
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NC1CCCCC1
InChIInChI=1S/C17H20ClN3O/c1-12-15(17(22)19-13-8-4-2-5-9-13)16(18)21(20-12)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,19,22)
InChIKeyBFJYNBFFHQILFL-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 613027
N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850671
N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850684
5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2324595
5-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 3712361
N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 9466971
N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-chloro-N-ethyl-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 16292836
5-chloro-3-methyl-1-phenyl-N-(2-phenylpropyl)pyrazole-4-carboxamide
CID 16294262
[(5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-amino]-acetic acid
CID 647138
N-isopropyl-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 759525

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide (CID 728653) is 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC1CCCCC1.
What is the InChIKey of 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is BFJYNBFFHQILFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12-15(17(22)19-13-8-4-2-5-9-13)16(18)21(20-12)14-10-6-3-7-11-14/h3,6-7,10-11,13H,2,4-5,8-9H2,1H3,(H,19,22).
What are the key properties of 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 728653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).