(3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

C18H23N3O2 — CID 8741284

IUPAC(3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)C[C@H](C)n2nc(C)c(C)c2C)c1
InChIInChI=1S/C18H23N3O2/c1-11(21-14(4)12(2)13(3)20-21)9-18(23)19-17-8-6-7-16(10-17)15(5)22/h6-8,10-11H,9H2,1-5H3,(H,19,23)/t11-/m0/s1
InChIKeyMZFJWRDKUQRLIN-NSHDSACASA-N
MW313.40 g/mol
LogP3.60
Rot. Bonds5

About (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide

(3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (PubChem CID 8741284) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
PubChem CID8741284
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
SMILESCC(=O)c1cccc(NC(=O)C[C@H](C)n2nc(C)c(C)c2C)c1
InChIInChI=1S/C18H23N3O2/c1-11(21-14(4)12(2)13(3)20-21)9-18(23)19-17-8-6-7-16(10-17)15(5)22/h6-8,10-11H,9H2,1-5H3,(H,19,23)/t11-/m0/s1
InChIKeyMZFJWRDKUQRLIN-NSHDSACASA-N
XLogP3.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-methoxyphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide
CID 40793328
N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
CID 55260812
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999507
3-(3-pyrrol-1-ylbutanoylamino)benzoic acid
CID 75482450
N-(3-acetylphenyl)propanamide
CID 903063
4-(3-acetylanilino)-2-ethyl-4-oxobutanoic acid
CID 112517077
N-(3-acetylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591501
(2R)-4-(3-acetylanilino)-2-(dimethylamino)-4-oxobutanoic acid
CID 2140649
N-(3-acetylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9209621
2-[3-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]acetic acid
CID 119351659

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The IUPAC name of (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide (CID 8741284) is (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The canonical SMILES for (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is CC(=O)c1cccc(NC(=O)C[C@H](C)n2nc(C)c(C)c2C)c1.
What is the InChIKey of (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
The InChIKey is MZFJWRDKUQRLIN-NSHDSACASA-N. The full InChI is InChI=1S/C18H23N3O2/c1-11(21-14(4)12(2)13(3)20-21)9-18(23)19-17-8-6-7-16(10-17)15(5)22/h6-8,10-11H,9H2,1-5H3,(H,19,23)/t11-/m0/s1.
What are the key properties of (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide?
(3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-acetylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 8741284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).