5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide

C12H13FN4O — CID 122171425

IUPAC5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C12H13FN4O/c1-17-11(14)6-10(16-17)12(18)15-7-8-2-4-9(13)5-3-8/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyPSFXQSULFVBAFE-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.07
Rot. Bonds3

About 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide

5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 122171425) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID122171425
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C12H13FN4O/c1-17-11(14)6-10(16-17)12(18)15-7-8-2-4-9(13)5-3-8/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyPSFXQSULFVBAFE-UHFFFAOYSA-N
XLogP1.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide 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-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308800
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-[(4-fluorophenyl)methyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759503
N-[(4-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62249040
N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476046
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide (CID 122171425) is 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)cc1N.
What is the InChIKey of 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is PSFXQSULFVBAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-17-11(14)6-10(16-17)12(18)15-7-8-2-4-9(13)5-3-8/h2-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide?
5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 122171425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).