N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide

C18H23N3O — CID 46651476

IUPACN-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C18H23N3O/c1-13-5-3-4-6-17(13)20-18(22)15-7-9-16(10-8-15)21-14(2)11-12-19-21/h7-13,17H,3-6H2,1-2H3,(H,20,22)
InChIKeyFBNQLIICGATTPO-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.49
Rot. Bonds3

About N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide

N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 46651476) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID46651476
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
SMILESCc1ccnn1-c1ccc(C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C18H23N3O/c1-13-5-3-4-6-17(13)20-18(22)15-7-9-16(10-8-15)21-14(2)11-12-19-21/h7-13,17H,3-6H2,1-2H3,(H,20,22)
InChIKeyFBNQLIICGATTPO-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-(2-methylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 24537639
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 11929431
[(2S)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 11929452
[(2R)-1-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 11929455
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55349610
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
(2-methylpiperidin-1-yl)-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 46419890

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide (CID 46651476) is N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide is Cc1ccnn1-c1ccc(C(=O)NC2CCCCC2C)cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is FBNQLIICGATTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-5-3-4-6-17(13)20-18(22)15-7-9-16(10-8-15)21-14(2)11-12-19-21/h7-13,17H,3-6H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide?
N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 46651476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).