5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide

C13H15FN4O — CID 110484229

IUPAC5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cn[nH]c1N)c1ccccc1F
InChIInChI=1S/C13H15FN4O/c1-13(2,9-5-3-4-6-10(9)14)17-12(19)8-7-16-18-11(8)15/h3-7H,1-2H3,(H,17,19)(H3,15,16,18)
InChIKeyKWYGTAMFUQRPCV-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.80
Rot. Bonds3

About 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide

5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 110484229) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID110484229
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cn[nH]c1N)c1ccccc1F
InChIInChI=1S/C13H15FN4O/c1-13(2,9-5-3-4-6-10(9)14)17-12(19)8-7-16-18-11(8)15/h3-7H,1-2H3,(H,17,19)(H3,15,16,18)
InChIKeyKWYGTAMFUQRPCV-UHFFFAOYSA-N
XLogP1.80
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide (CID 110484229) is 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide is CC(C)(NC(=O)c1cn[nH]c1N)c1ccccc1F.
What is the InChIKey of 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is KWYGTAMFUQRPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-13(2,9-5-3-4-6-10(9)14)17-12(19)8-7-16-18-11(8)15/h3-7H,1-2H3,(H,17,19)(H3,15,16,18).
What are the key properties of 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide?
5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110484229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).