N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H15FN4O — CID 28742326

IUPACN-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H15FN4O/c1-7-12(8(2)18(3)17-7)13(19)16-11-5-4-9(14)6-10(11)15/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyAGMNDVJYKYBPOV-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.01
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 28742326) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID28742326
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC NameN-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C13H15FN4O/c1-7-12(8(2)18(3)17-7)13(19)16-11-5-4-9(14)6-10(11)15/h4-6H,15H2,1-3H3,(H,16,19)
InChIKeyAGMNDVJYKYBPOV-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-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

Related Compounds

N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104757095
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365
N-[(2,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 110472944
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 28742326) is N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is AGMNDVJYKYBPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-7-12(8(2)18(3)17-7)13(19)16-11-5-4-9(14)6-10(11)15/h4-6H,15H2,1-3H3,(H,16,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28742326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).