N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide

C15H18FN3O — CID 46339683

IUPACN-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccn(C(C)CC(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3O/c1-11-7-8-19(18-11)12(2)9-15(20)17-10-13-3-5-14(16)6-4-13/h3-8,12H,9-10H2,1-2H3,(H,17,20)
InChIKeyIFASCEFKVJFZGG-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.60
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide

N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide (PubChem CID 46339683) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
PubChem CID46339683
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
SMILESCc1ccn(C(C)CC(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3O/c1-11-7-8-19(18-11)12(2)9-15(20)17-10-13-3-5-14(16)6-4-13/h3-8,12H,9-10H2,1-2H3,(H,17,20)
InChIKeyIFASCEFKVJFZGG-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
N-[(3-methoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 46339681
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
(3S)-3-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]butanamide
CID 92693207
N-(2-chlorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 46339700
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[(4-fluorophenyl)methyl]-3-pyridin-3-ylbutanamide
CID 110648100
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280
2-bromo-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 24695966

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide (CID 46339683) is N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide is Cc1ccn(C(C)CC(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
The InChIKey is IFASCEFKVJFZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-7-8-19(18-11)12(2)9-15(20)17-10-13-3-5-14(16)6-4-13/h3-8,12H,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide?
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide has a molecular weight of 275.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)butanamide is sourced from PubChem (CID 46339683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).