(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide

C20H20FN3O — CID 124595049

IUPAC(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1nn(-c2ccccc2)cc1C)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-3-18(15-9-11-16(21)12-10-15)20(25)22-19-14(2)13-24(23-19)17-7-5-4-6-8-17/h4-13,18H,3H2,1-2H3,(H,22,23,25)/t18-/m0/s1
InChIKeyKXXVTPKEJPYTCB-SFHVURJKSA-N
MW337.40 g/mol
LogP4.45
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide

(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide (PubChem CID 124595049) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
PubChem CID124595049
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
SMILESCC[C@H](C(=O)Nc1nn(-c2ccccc2)cc1C)c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-3-18(15-9-11-16(21)12-10-15)20(25)22-19-14(2)13-24(23-19)17-7-5-4-6-8-17/h4-13,18H,3H2,1-2H3,(H,22,23,25)/t18-/m0/s1
InChIKeyKXXVTPKEJPYTCB-SFHVURJKSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(4-methyl-1-phenylpyrazol-3-yl)-2-phenylacetamide
CID 111464580
1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 111107558
(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide
CID 99716294
1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 71992278
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide
CID 166237482
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide
CID 166228641
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7312055
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
2-[2-(4-fluorophenyl)butanoylamino]propanoic acid
CID 120523636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide (CID 124595049) is (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide is CC[C@H](C(=O)Nc1nn(-c2ccccc2)cc1C)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide?
The InChIKey is KXXVTPKEJPYTCB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-3-18(15-9-11-16(21)12-10-15)20(25)22-19-14(2)13-24(23-19)17-7-5-4-6-8-17/h4-13,18H,3H2,1-2H3,(H,22,23,25)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide?
(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide has a molecular weight of 337.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide is sourced from PubChem (CID 124595049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).