N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide

C17H21N3O — CID 143736816

IUPACN-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H21N3O/c1-20-16(11-12-18-20)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,19,21)
InChIKeyQUWBYNUOZQVFDD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.72
Rot. Bonds3

About N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide

N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 143736816) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID143736816
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H21N3O/c1-20-16(11-12-18-20)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,19,21)
InChIKeyQUWBYNUOZQVFDD-UHFFFAOYSA-N
XLogP3.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-(4-cyclohexylphenyl)benzamide
CID 10333838
N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-methylpyrazole-3-carboxamide
CID 174055169
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379
N-[(1S)-1-cyclohexylethyl]-4-[4-[(2-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]piperidine-1-carboxamide
CID 171673722
N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 5041446
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
4-cyclohexyl-N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 136566340

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide (CID 143736816) is N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is QUWBYNUOZQVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20-16(11-12-18-20)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H,19,21).
What are the key properties of N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide?
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 143736816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).