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

C13H12FN5O — CID 82014018

IUPAC4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(F)cc2C#N)c1N
InChIInChI=1S/C13H12FN5O/c1-7-11(16)12(19(2)18-7)13(20)17-10-4-3-9(14)5-8(10)6-15/h3-5H,16H2,1-2H3,(H,17,20)
InChIKeyGXZIFBUWWHTLHT-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.57
Rot. Bonds2

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

4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 82014018) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID82014018
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(F)cc2C#N)c1N
InChIInChI=1S/C13H12FN5O/c1-7-11(16)12(19(2)18-7)13(20)17-10-4-3-9(14)5-8(10)6-15/h3-5H,16H2,1-2H3,(H,17,20)
InChIKeyGXZIFBUWWHTLHT-UHFFFAOYSA-N
XLogP1.57
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-amino-N-(2-bromo-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122027
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121252
4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124198
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82012929
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
2-amino-N-(2-cyano-4-fluorophenyl)pyridine-4-carboxamide
CID 82685570
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
CID 82013560
N-(2-cyano-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 79953680

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 82014018) is 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2ccc(F)cc2C#N)c1N.
What is the InChIKey of 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is GXZIFBUWWHTLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-7-11(16)12(19(2)18-7)13(20)17-10-4-3-9(14)5-8(10)6-15/h3-5H,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 82014018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).