5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide

C13H15FN4O — CID 115330494

IUPAC5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cnn(C)c1N
InChIInChI=1S/C13H15FN4O/c1-17(8-9-3-5-10(14)6-4-9)13(19)11-7-16-18(2)12(11)15/h3-7H,8,15H2,1-2H3
InChIKeyMFSBQJFOYNGYGO-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.41
Rot. Bonds3

About 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide

5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 115330494) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID115330494
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cnn(C)c1N
InChIInChI=1S/C13H15FN4O/c1-17(8-9-3-5-10(14)6-4-9)13(19)11-7-16-18(2)12(11)15/h3-7H,8,15H2,1-2H3
InChIKeyMFSBQJFOYNGYGO-UHFFFAOYSA-N
XLogP1.41
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[(3-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330502
N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 60922468
5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide
CID 112663204
5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 115330507
4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 60978715
5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
2-(4-aminopyrazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 43574113
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39862153
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38074949

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 115330494) is 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is MFSBQJFOYNGYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-17(8-9-3-5-10(14)6-4-9)13(19)11-7-16-18(2)12(11)15/h3-7H,8,15H2,1-2H3.
What are the key properties of 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide?
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 115330494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).