(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide

C15H19N3O — CID 92707983

IUPAC(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
SMILESCc1cccc(NC(=O)C[C@H](C)n2cccn2)c1C
InChIInChI=1S/C15H19N3O/c1-11-6-4-7-14(13(11)3)17-15(19)10-12(2)18-9-5-8-16-18/h4-9,12H,10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyLGKGBCDMHIOPEO-LBPRGKRZSA-N
MW257.34 g/mol
LogP3.09
Rot. Bonds4

About (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide

(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide (PubChem CID 92707983) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
PubChem CID92707983
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
SMILESCc1cccc(NC(=O)C[C@H](C)n2cccn2)c1C
InChIInChI=1S/C15H19N3O/c1-11-6-4-7-14(13(11)3)17-15(19)10-12(2)18-9-5-8-16-18/h4-9,12H,10H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyLGKGBCDMHIOPEO-LBPRGKRZSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708012
(3R)-N-(2,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708020
(3S)-N-(3,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708025
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
(3R)-N-(3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708082
(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
(3S)-N-(3,5-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708031
(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
CID 92708090
N-(2,3-dimethylphenyl)-2-(2-methylpropylamino)acetamide
CID 108993242
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)butanamide
CID 104502050

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide (CID 92707983) is (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide is Cc1cccc(NC(=O)C[C@H](C)n2cccn2)c1C.
What is the InChIKey of (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide?
The InChIKey is LGKGBCDMHIOPEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-6-4-7-14(13(11)3)17-15(19)10-12(2)18-9-5-8-16-18/h4-9,12H,10H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide?
(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide has a molecular weight of 257.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92707983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).