1-benzyl-N-cyclohexylpyrazole-4-carboxamide

C17H21N3O — CID 40710526

IUPAC1-benzyl-N-cyclohexylpyrazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H21N3O/c21-17(19-16-9-5-2-6-10-16)15-11-18-20(13-15)12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13,16H,2,5-6,9-10,12H2,(H,19,21)
InChIKeyXJJJLEZKCDWEKT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.99
Rot. Bonds4

About 1-benzyl-N-cyclohexylpyrazole-4-carboxamide

1-benzyl-N-cyclohexylpyrazole-4-carboxamide (PubChem CID 40710526) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexylpyrazole-4-carboxamide
PubChem CID40710526
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-benzyl-N-cyclohexylpyrazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H21N3O/c21-17(19-16-9-5-2-6-10-16)15-11-18-20(13-15)12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13,16H,2,5-6,9-10,12H2,(H,19,21)
InChIKeyXJJJLEZKCDWEKT-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
1-[(2-chlorophenyl)methyl]-N-cyclopentylpyrazole-4-carboxamide
CID 25392689
1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxamide
CID 27710840
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
1-[(2-chlorophenyl)methyl]-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 75361341
1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111696717
1-benzyl-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]pyrazole-4-carboxamide
CID 47031666
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexylpyrazole-4-carboxamide (CID 40710526) is 1-benzyl-N-cyclohexylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexylpyrazole-4-carboxamide is O=C(NC1CCCCC1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-cyclohexylpyrazole-4-carboxamide?
The InChIKey is XJJJLEZKCDWEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17(19-16-9-5-2-6-10-16)15-11-18-20(13-15)12-14-7-3-1-4-8-14/h1,3-4,7-8,11,13,16H,2,5-6,9-10,12H2,(H,19,21).
What are the key properties of 1-benzyl-N-cyclohexylpyrazole-4-carboxamide?
1-benzyl-N-cyclohexylpyrazole-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexylpyrazole-4-carboxamide is sourced from PubChem (CID 40710526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).