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

C13H11FN4O — CID 103820430

IUPACN-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C13H11FN4O/c1-8-10(7-18(2)17-8)13(19)16-12-4-3-9(6-15)5-11(12)14/h3-5,7H,1-2H3,(H,16,19)
InChIKeyYGHPKBVIJRRQGU-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.99
Rot. Bonds2

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

N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 103820430) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID103820430
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC NameN-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C13H11FN4O/c1-8-10(7-18(2)17-8)13(19)16-12-4-3-9(6-15)5-11(12)14/h3-5,7H,1-2H3,(H,16,19)
InChIKeyYGHPKBVIJRRQGU-UHFFFAOYSA-N
XLogP1.99
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-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-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-fluorobenzonitrile
CID 83089078
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
4-cyano-N-[4-(diethylamino)-2-methylphenyl]-2-fluorobenzamide
CID 952855
N-(4-cyano-2-fluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105070875
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 103820430) is N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccc(C#N)cc1F.
What is the InChIKey of N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is YGHPKBVIJRRQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-8-10(7-18(2)17-8)13(19)16-12-4-3-9(6-15)5-11(12)14/h3-5,7H,1-2H3,(H,16,19).
What are the key properties of N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 258.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 103820430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).