(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide

C14H16FN3O — CID 92708178

IUPAC(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccn([C@H](C)CC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-10-7-8-18(17-10)11(2)9-14(19)16-13-5-3-12(15)4-6-13/h3-8,11H,9H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyGGQGGKBGFHIELA-LLVKDONJSA-N
MW261.30 g/mol
LogP2.92
Rot. Bonds4

About (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide

(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 92708178) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID92708178
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccn([C@H](C)CC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O/c1-10-7-8-18(17-10)11(2)9-14(19)16-13-5-3-12(15)4-6-13/h3-8,11H,9H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyGGQGGKBGFHIELA-LLVKDONJSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708151
(3R)-N-(3,4-dimethylphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708194
(3S)-N-(3-methoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708150
(3S)-3-(3-methylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92708147
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339700
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
N-(2,4-dimethoxyphenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339644
2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35533172
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 2832938
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 7432118
5-(4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 2732332

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide (CID 92708178) is (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide is Cc1ccn([C@H](C)CC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is GGQGGKBGFHIELA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10-7-8-18(17-10)11(2)9-14(19)16-13-5-3-12(15)4-6-13/h3-8,11H,9H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide?
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 261.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 92708178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).