1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one

C13H14FN3O — CID 157111933

IUPAC1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one
SMILESNc1cc(CC(=O)CCc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C13H14FN3O/c14-10-4-1-9(2-5-10)3-6-12(18)7-11-8-13(15)17-16-11/h1-2,4-5,8H,3,6-7H2,(H3,15,16,17)
InChIKeyAGYMFFOJJBUDJQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.88
Rot. Bonds5

About 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one

1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one (PubChem CID 157111933) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one.

Molecular Properties

Compound Name1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one
PubChem CID157111933
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one
SMILESNc1cc(CC(=O)CCc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C13H14FN3O/c14-10-4-1-9(2-5-10)3-6-12(18)7-11-8-13(15)17-16-11/h1-2,4-5,8H,3,6-7H2,(H3,15,16,17)
InChIKeyAGYMFFOJJBUDJQ-UHFFFAOYSA-N
XLogP1.88
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
CID 62503288
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
5-[4-(4-fluorophenyl)-2-oxobutyl]-1,2-oxazol-3-one
CID 176861724
2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]acetic acid
CID 82392813
3-amino-N-[4-(2-hydroxyethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64524679
5-[2-(2,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine
CID 82084245
4-(4-aminophenyl)-1-(5-bromo-2-fluorophenyl)butan-2-one
CID 116605593
4-(4-aminophenyl)-1-(2-fluorophenyl)butan-2-one
CID 116605498
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524304
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
1-(2-chloro-5-fluorophenyl)-4-(4-methylphenyl)butan-2-one
CID 102622334

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one?
The IUPAC name of 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one (CID 157111933) is 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one.
What is the SMILES notation for 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one?
The canonical SMILES for 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one is Nc1cc(CC(=O)CCc2ccc(F)cc2)[nH]n1.
What is the InChIKey of 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one?
The InChIKey is AGYMFFOJJBUDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-4-1-9(2-5-10)3-6-12(18)7-11-8-13(15)17-16-11/h1-2,4-5,8H,3,6-7H2,(H3,15,16,17).
What are the key properties of 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one?
1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one has a molecular weight of 247.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-pyrazol-5-yl)-4-(4-fluorophenyl)butan-2-one is sourced from PubChem (CID 157111933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).