1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C25H18F4N6O3S — CID 91093535

IUPAC1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3[nH]nc(N)c3c2)c(F)c1
InChIInChI=1S/C25H18F4N6O3S/c1-39(37,38)21-5-3-2-4-15(21)13-6-8-19(17(26)10-13)31-24(36)20-12-22(25(27,28)29)34-35(20)14-7-9-18-16(11-14)23(30)33-32-18/h2-12H,1H3,(H,31,36)(H3,30,32,33)
InChIKeyXEHNBYIPQXVGNE-UHFFFAOYSA-N
MW558.52 g/mol
LogP4.81
Rot. Bonds5

About 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 91093535) has the molecular formula C25H18F4N6O3S and a molecular weight of 558.52 g/mol. Its IUPAC name is 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID91093535
Molecular FormulaC25H18F4N6O3S
Molecular Weight558.52 g/mol
Exact Mass558.11
IUPAC Name1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3[nH]nc(N)c3c2)c(F)c1
InChIInChI=1S/C25H18F4N6O3S/c1-39(37,38)21-5-3-2-4-15(21)13-6-8-19(17(26)10-13)31-24(36)20-12-22(25(27,28)29)34-35(20)14-7-9-18-16(11-14)23(30)33-32-18/h2-12H,1H3,(H,31,36)(H3,30,32,33)
InChIKeyXEHNBYIPQXVGNE-UHFFFAOYSA-N
XLogP4.81
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.52
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-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

1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 9895762
N-(3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 135530746
1-(3-amino-1H-indazol-5-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10299889
2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]pyrazole-3-carboxamide
CID 10552446
1-(3-carbamimidoylphenyl)-N-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 10675632
2-(2-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2''-methanesulfonyl-biphenyl-4-yl)-amide
CID 44366339
2-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 10814968
[3-[5-[[2-Fluoro-4-(2-methylsulfonylphenyl)phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylazanium
CID 72200184
1-(3-(5-amino-4H-1,2,4-triazol-3-yl)phenyl)-N-(3-fluoro-2''-(methylsulfonyl)biphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10121121
1-[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 10188952
2-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 10604382
1-(3-amino-1H-indazol-6-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11113694

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 91093535) is 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3[nH]nc(N)c3c2)c(F)c1.
What is the InChIKey of 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is XEHNBYIPQXVGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N6O3S/c1-39(37,38)21-5-3-2-4-15(21)13-6-8-19(17(26)10-13)31-24(36)20-12-22(25(27,28)29)34-35(20)14-7-9-18-16(11-14)23(30)33-32-18/h2-12H,1H3,(H,31,36)(H3,30,32,33).
What are the key properties of 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 558.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-indazol-5-yl)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 91093535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).