(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

C15H16F3N3O — CID 92708147

IUPAC(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccn([C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H16F3N3O/c1-10-6-7-21(20-10)11(2)8-14(22)19-13-5-3-4-12(9-13)15(16,17)18/h3-7,9,11H,8H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyPPDQTTQTPAOGJP-NSHDSACASA-N
MW311.31 g/mol
LogP3.80
Rot. Bonds4

About (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 92708147) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID92708147
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC Name(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCc1ccn([C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H16F3N3O/c1-10-6-7-21(20-10)11(2)8-14(22)19-13-5-3-4-12(9-13)15(16,17)18/h3-7,9,11H,8H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyPPDQTTQTPAOGJP-NSHDSACASA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxamide
CID 91945715
3-(diethylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109030749
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
3-methyl-N-(4-phenoxyphenyl)-N'-[3-(trifluoromethyl)phenyl]pentanediamide
CID 3688327
3-[[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86885102
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 92708147) is (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide is Cc1ccn([C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is PPDQTTQTPAOGJP-NSHDSACASA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-10-6-7-21(20-10)11(2)8-14(22)19-13-5-3-4-12(9-13)15(16,17)18/h3-7,9,11H,8H2,1-2H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 311.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 92708147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).