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

C17H23N3O — CID 92693197

IUPAC(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C17H23N3O/c1-11-7-6-8-16(15(11)5)18-17(21)10-14(4)20-13(3)9-12(2)19-20/h6-9,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyVVCODAPFGWJIDX-AWEZNQCLSA-N
MW285.39 g/mol
LogP3.71
Rot. Bonds4

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

(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 92693197) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID92693197
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
SMILESCc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C17H23N3O/c1-11-7-6-8-16(15(11)5)18-17(21)10-14(4)20-13(3)9-12(2)19-20/h6-9,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1
InChIKeyVVCODAPFGWJIDX-AWEZNQCLSA-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

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Related Compounds

(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693215
(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
(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92707983
1-[2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206644
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46339574
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenoxy]acetic acid
CID 119224731
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
CID 15943628
3-[4-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]propanoic acid
CID 119252268
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 130652830

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide (CID 92693197) is (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is Cc1cc(C)n([C@@H](C)CC(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is VVCODAPFGWJIDX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-7-6-8-16(15(11)5)18-17(21)10-14(4)20-13(3)9-12(2)19-20/h6-9,14H,10H2,1-5H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide?
(3S)-N-(2,3-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 (3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92693197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).