N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide

C24H29N3O — CID 141063851

IUPACN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C24H29N3O/c1-17(2)11-23(22-13-18(3)12-19(4)14-22)26-24(28)21-8-5-7-20(15-21)16-27-10-6-9-25-27/h5-10,12-15,17,23H,11,16H2,1-4H3,(H,26,28)
InChIKeyVDELIHSZLJASPC-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.07
Rot. Bonds7

About N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide

N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 141063851) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID141063851
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc(Cn3cccn3)c2)c1
InChIInChI=1S/C24H29N3O/c1-17(2)11-23(22-13-18(3)12-19(4)14-22)26-24(28)21-8-5-7-20(15-21)16-27-10-6-9-25-27/h5-10,12-15,17,23H,11,16H2,1-4H3,(H,26,28)
InChIKeyVDELIHSZLJASPC-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97137368
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
CID 141063892
(2R)-2-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pentanediamide
CID 70712301
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 77080300
2-(3-amino-3-oxopropyl)-N-[1-(3,5-dimethoxyphenyl)-3-methylbutyl]-5-(pyrazol-1-ylmethyl)benzamide
CID 163551931
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491
N-(3-chloro-2-methylphenyl)sulfonyl-3-(pyrazol-1-ylmethyl)benzamide
CID 110166691
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide (CID 141063851) is N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide is Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc(Cn3cccn3)c2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is VDELIHSZLJASPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-17(2)11-23(22-13-18(3)12-19(4)14-22)26-24(28)21-8-5-7-20(15-21)16-27-10-6-9-25-27/h5-10,12-15,17,23H,11,16H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 375.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 141063851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).