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

C18H23N3O — CID 2354073

IUPACN-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C18H23N3O/c1-13-12-14(2)21(20-13)17-10-8-15(9-11-17)18(22)19-16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,19,22)
InChIKeyQSTHNBBMXQQWHW-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.55
Rot. Bonds3

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

N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 2354073) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID2354073
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1
InChIInChI=1S/C18H23N3O/c1-13-12-14(2)21(20-13)17-10-8-15(9-11-17)18(22)19-16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,19,22)
InChIKeyQSTHNBBMXQQWHW-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 2354073) is N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1.
What is the InChIKey of N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is QSTHNBBMXQQWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-12-14(2)21(20-13)17-10-8-15(9-11-17)18(22)19-16-6-4-3-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,19,22).
What are the key properties of N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 2354073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).