3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide

C16H20FN3O — CID 46339616

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccc(F)cc2C)n1
InChIInChI=1S/C16H20FN3O/c1-10-7-14(17)5-6-15(10)18-16(21)9-13(4)20-12(3)8-11(2)19-20/h5-8,13H,9H2,1-4H3,(H,18,21)
InChIKeyDVDDHPWDWQFVPL-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.54
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide (PubChem CID 46339616) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
PubChem CID46339616
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide
SMILESCc1cc(C)n(C(C)CC(=O)Nc2ccc(F)cc2C)n1
InChIInChI=1S/C16H20FN3O/c1-10-7-14(17)5-6-15(10)18-16(21)9-13(4)20-12(3)8-11(2)19-20/h5-8,13H,9H2,1-4H3,(H,18,21)
InChIKeyDVDDHPWDWQFVPL-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693220
(3S)-N-(2,3-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693197
(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693215
4-amino-N-(4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 81070633
N-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 46339574
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
3-(3,5-dimethylpyrazol-1-yl)-N-(4-ethoxyphenyl)butanamide
CID 15943628
5-amino-N-(4-fluoro-2-methylphenyl)-4-methylpentanamide
CID 82016801
3-[4-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]propanoic acid
CID 119252268
1-[2-[3-(3,5-dimethylpyrazol-1-yl)butanoylamino]phenyl]pyrazole-3-carboxylic acid
CID 119206644
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92708113
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide (CID 46339616) is 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide is Cc1cc(C)n(C(C)CC(=O)Nc2ccc(F)cc2C)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide?
The InChIKey is DVDDHPWDWQFVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10-7-14(17)5-6-15(10)18-16(21)9-13(4)20-12(3)8-11(2)19-20/h5-8,13H,9H2,1-4H3,(H,18,21).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide has a molecular weight of 289.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-2-methylphenyl)butanamide is sourced from PubChem (CID 46339616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).