N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide

C13H14FN3O — CID 46339386

IUPACN-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O/c1-10-6-8-17(16-10)9-7-13(18)15-12-4-2-11(14)3-5-12/h2-6,8H,7,9H2,1H3,(H,15,18)
InChIKeyRKLDJUMEARSOMV-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.36
Rot. Bonds4

About N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide

N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 46339386) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID46339386
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H14FN3O/c1-10-6-8-17(16-10)9-7-13(18)15-12-4-2-11(14)3-5-12/h2-6,8H,7,9H2,1H3,(H,15,18)
InChIKeyRKLDJUMEARSOMV-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylpyrazol-1-yl)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 19555789
N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339411
N-[(4-fluorophenyl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555724
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555892
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 46339370
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
N-[1-(methoxymethyl)pyrazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19559500
N-(1,5-dimethylpyrazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555805
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178
N-[4-(4-fluorophenyl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 46972210
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 131932476
2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35533172

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide (CID 46339386) is N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is RKLDJUMEARSOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-10-6-8-17(16-10)9-7-13(18)15-12-4-2-11(14)3-5-12/h2-6,8H,7,9H2,1H3,(H,15,18).
What are the key properties of N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide?
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 247.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46339386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).