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

C12H12F2N4O — CID 66121252

IUPAC4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cc(F)ccc2F)c1N
InChIInChI=1S/C12H12F2N4O/c1-6-10(15)11(18(2)17-6)12(19)16-9-5-7(13)3-4-8(9)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyNBNQAZUGZNSEPH-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.84
Rot. Bonds2

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

4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66121252) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66121252
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cc(F)ccc2F)c1N
InChIInChI=1S/C12H12F2N4O/c1-6-10(15)11(18(2)17-6)12(19)16-9-5-7(13)3-4-8(9)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyNBNQAZUGZNSEPH-UHFFFAOYSA-N
XLogP1.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2,5-difluorophenyl)-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-cyano-4-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 82014018
4-amino-N-(4-chloro-2-iodophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107624168
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
4-amino-N-(3-fluoro-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 79048774
4-amino-N-(2-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66119861
4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107596248
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
4-amino-N-(5-cyano-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124198
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418
4-amino-1,3-dimethyl-N-pyrimidin-2-ylpyrazole-5-carboxamide
CID 66121641
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66121252) is 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2cc(F)ccc2F)c1N.
What is the InChIKey of 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is NBNQAZUGZNSEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-6-10(15)11(18(2)17-6)12(19)16-9-5-7(13)3-4-8(9)14/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-difluorophenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).