N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C20H27N3O — CID 44536087

IUPACN-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC3CCCCC3)cc2)n1
InChIInChI=1S/C20H27N3O/c1-15-12-16(2)23(22-15)14-18-8-10-19(11-9-18)20(24)21-13-17-6-4-3-5-7-17/h8-12,17H,3-7,13-14H2,1-2H3,(H,21,24)
InChIKeyFNASPHVWQIYEFY-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.86
Rot. Bonds5

About N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 44536087) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID44536087
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC3CCCCC3)cc2)n1
InChIInChI=1S/C20H27N3O/c1-15-12-16(2)23(22-15)14-18-8-10-19(11-9-18)20(24)21-13-17-6-4-3-5-7-17/h8-12,17H,3-7,13-14H2,1-2H3,(H,21,24)
InChIKeyFNASPHVWQIYEFY-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide
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Dipeptidyl nitrile inhibitor, 26
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N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
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N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
N-(4-chlorophenyl)-5-methyl-2-[(4-methylphenyl)methyl]-3-pyrazolecarboxamide
CID 2747052
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
Ab-chfupyca
CID 122213879
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 44536087) is N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCC3CCCCC3)cc2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is FNASPHVWQIYEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-12-16(2)23(22-15)14-18-8-10-19(11-9-18)20(24)21-13-17-6-4-3-5-7-17/h8-12,17H,3-7,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 325.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 44536087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).