(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

C16H20ClN3O — CID 92693215

IUPAC(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C16H20ClN3O/c1-10-8-11(2)20(19-10)12(3)9-16(21)18-15-7-5-6-14(17)13(15)4/h5-8,12H,9H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyUOKITJVYPHDFKG-LBPRGKRZSA-N
MW305.81 g/mol
LogP4.05
Rot. Bonds4

About (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 92693215) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID92693215
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C16H20ClN3O/c1-10-8-11(2)20(19-10)12(3)9-16(21)18-15-7-5-6-14(17)13(15)4/h5-8,12H,9H2,1-4H3,(H,18,21)/t12-/m0/s1
InChIKeyUOKITJVYPHDFKG-LBPRGKRZSA-N
XLogP4.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide 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

(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693220
3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
CID 46339616
N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
1-[2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206644
N-(3-chloro-2-methylphenyl)-3-methoxybutanamide
CID 47091350
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46339574
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenoxy]acetic acid
CID 119224731
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339700
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
CID 15943628
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (CID 92693215) is (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(Cl)c2C)n1.
What is the InChIKey of (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is UOKITJVYPHDFKG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-10-8-11(2)20(19-10)12(3)9-16(21)18-15-7-5-6-14(17)13(15)4/h5-8,12H,9H2,1-4H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 305.81 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92693215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).