(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

C17H23N3O — CID 92693220

IUPAC(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1ccc(C)c(NC(=O)C[C@@H](C)n2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O/c1-11-6-7-12(2)16(8-11)18-17(21)10-15(5)20-14(4)9-13(3)19-20/h6-9,15H,10H2,1-5H3,(H,18,21)/t15-/m1/s1
InChIKeyIPOZAYHHUCAZSI-OAHLLOKOSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds4

About (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 92693220) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID92693220
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1ccc(C)c(NC(=O)C[C@@H](C)n2nc(C)cc2C)c1
InChIInChI=1S/C17H23N3O/c1-11-6-7-12(2)16(8-11)18-17(21)10-15(5)20-14(4)9-13(3)19-20/h6-9,15H,10H2,1-5H3,(H,18,21)/t15-/m1/s1
InChIKeyIPOZAYHHUCAZSI-OAHLLOKOSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(2,5-dimethylphenyl)-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
(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693215
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
CID 95125643
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46339574
N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
CID 95144263
N-(2,5-dimethylphenyl)-3-[[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
CID 95144262
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
1-[2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206644
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]acetic acid
CID 119351659
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (CID 92693220) is (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1ccc(C)c(NC(=O)C[C@@H](C)n2nc(C)cc2C)c1.
What is the InChIKey of (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is IPOZAYHHUCAZSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-6-7-12(2)16(8-11)18-17(21)10-15(5)20-14(4)9-13(3)19-20/h6-9,15H,10H2,1-5H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 285.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92693220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).