(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide

C17H23N3O — CID 92693207

IUPAC(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)C[C@H](C)n2nc(C)cc2C)cc1
InChIInChI=1S/C17H23N3O/c1-12-5-7-16(8-6-12)11-18-17(21)10-15(4)20-14(3)9-13(2)19-20/h5-9,15H,10-11H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyMILPEZGBRXZJOR-HNNXBMFYSA-N
MW285.39 g/mol
LogP3.08
Rot. Bonds5

About (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide

(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 92693207) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID92693207
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)C[C@H](C)n2nc(C)cc2C)cc1
InChIInChI=1S/C17H23N3O/c1-12-5-7-16(8-6-12)11-18-17(21)10-15(4)20-14(3)9-13(2)19-20/h5-9,15H,10-11H2,1-4H3,(H,18,21)/t15-/m0/s1
InChIKeyMILPEZGBRXZJOR-HNNXBMFYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 92693235
(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693192
3-[4-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]propanoic acid
CID 119252268
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-3-methylbutanoic acid
CID 119169990
(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 122264923
2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]-2-methylbutanoic acid
CID 119199177
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]acetic acid
CID 119351659
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46339574
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 46339683
(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693215
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)butanamide
CID 129342245

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide (CID 92693207) is (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CNC(=O)C[C@H](C)n2nc(C)cc2C)cc1.
What is the InChIKey of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is MILPEZGBRXZJOR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-7-16(8-6-12)11-18-17(21)10-15(4)20-14(3)9-13(2)19-20/h5-9,15H,10-11H2,1-4H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide?
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 285.39 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 92693207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).