1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide

C16H20ClN3O2 — CID 111461412

IUPAC1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H20ClN3O2/c1-11(2)15(21)7-8-18-16(22)12-9-19-20(10-12)14-5-3-13(17)4-6-14/h3-6,9-11,15,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyNJOFBANDRAPDHK-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide (PubChem CID 111461412) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
PubChem CID111461412
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H20ClN3O2/c1-11(2)15(21)7-8-18-16(22)12-9-19-20(10-12)14-5-3-13(17)4-6-14/h3-6,9-11,15,21H,7-8H2,1-2H3,(H,18,22)
InChIKeyNJOFBANDRAPDHK-UHFFFAOYSA-N
XLogP2.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460687
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119498873
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314
1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 50772791
1-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]pyrazole-4-carboxamide
CID 47056562
1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide
CID 55783966
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119607994
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide (CID 111461412) is 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide is CC(C)C(O)CCNC(=O)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
The InChIKey is NJOFBANDRAPDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11(2)15(21)7-8-18-16(22)12-9-19-20(10-12)14-5-3-13(17)4-6-14/h3-6,9-11,15,21H,7-8H2,1-2H3,(H,18,22).
What are the key properties of 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111461412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).