N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C20H27N3O — CID 55349610

IUPACN-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCC(C)C3C)cc2)n1
InChIInChI=1S/C20H27N3O/c1-13-6-5-7-19(16(13)4)21-20(24)17-8-10-18(11-9-17)23-15(3)12-14(2)22-23/h8-13,16,19H,5-7H2,1-4H3,(H,21,24)
InChIKeyWGEIDCCMNAODRA-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.04
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 55349610) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID55349610
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCC(C)C3C)cc2)n1
InChIInChI=1S/C20H27N3O/c1-13-6-5-7-19(16(13)4)21-20(24)17-8-10-18(11-9-17)23-15(3)12-14(2)22-23/h8-13,16,19H,5-7H2,1-4H3,(H,21,24)
InChIKeyWGEIDCCMNAODRA-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908802
4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429001
4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
CID 112816364
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599506
N-(2-methylcyclohexyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 46651476
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
CID 16785407
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 55349610) is N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NC3CCCC(C)C3C)cc2)n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is WGEIDCCMNAODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13-6-5-7-19(16(13)4)21-20(24)17-8-10-18(11-9-17)23-15(3)12-14(2)22-23/h8-13,16,19H,5-7H2,1-4H3,(H,21,24).
What are the key properties of N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 325.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 55349610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).