(3S)-N-phenyl-3-pyrazol-1-ylbutanamide

C13H15N3O — CID 92708085

IUPAC(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
SMILESC[C@@H](CC(=O)Nc1ccccc1)n1cccn1
InChIInChI=1S/C13H15N3O/c1-11(16-9-5-8-14-16)10-13(17)15-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyOWNRGKFEEKZUEA-NSHDSACASA-N
MW229.28 g/mol
LogP2.47
Rot. Bonds4

About (3S)-N-phenyl-3-pyrazol-1-ylbutanamide

(3S)-N-phenyl-3-pyrazol-1-ylbutanamide (PubChem CID 92708085) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (3S)-N-phenyl-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
PubChem CID92708085
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
SMILESC[C@@H](CC(=O)Nc1ccccc1)n1cccn1
InChIInChI=1S/C13H15N3O/c1-11(16-9-5-8-14-16)10-13(17)15-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyOWNRGKFEEKZUEA-NSHDSACASA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965
(3R)-N-(3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708082
(3R)-N-(3-bromophenyl)-3-pyrazol-1-ylbutanamide
CID 92708090
(3S)-N-(3,4-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708025
(3S)-N-(3,5-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708031
(3R)-N-(2-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708012
(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 92708068
(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
CID 39730515
(3S)-N-(4-bromo-3-methylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708037
(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
CID 92708028
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
(3S)-N-(2,3-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92707983

Frequently Asked Questions

What is the IUPAC name of (3S)-N-phenyl-3-pyrazol-1-ylbutanamide?
The IUPAC name of (3S)-N-phenyl-3-pyrazol-1-ylbutanamide (CID 92708085) is (3S)-N-phenyl-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for (3S)-N-phenyl-3-pyrazol-1-ylbutanamide?
The canonical SMILES for (3S)-N-phenyl-3-pyrazol-1-ylbutanamide is C[C@@H](CC(=O)Nc1ccccc1)n1cccn1.
What is the InChIKey of (3S)-N-phenyl-3-pyrazol-1-ylbutanamide?
The InChIKey is OWNRGKFEEKZUEA-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O/c1-11(16-9-5-8-14-16)10-13(17)15-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (3S)-N-phenyl-3-pyrazol-1-ylbutanamide?
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide has a molecular weight of 229.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-phenyl-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 92708085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).