5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide

C17H15F3N6O4S — CID 24674521

IUPAC5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C17H15F3N6O4S/c1-10-13(8-21-26(10)14-6-7-15(27)25-24-14)16(28)23-11-2-4-12(5-3-11)31(29,30)22-9-17(18,19)20/h2-8,22H,9H2,1H3,(H,23,28)(H,25,27)
InChIKeyMJCBEXXORSSOGS-UHFFFAOYSA-N
MW456.41 g/mol
LogP1.36
Rot. Bonds6

About 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 24674521) has the molecular formula C17H15F3N6O4S and a molecular weight of 456.41 g/mol. Its IUPAC name is 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID24674521
Molecular FormulaC17H15F3N6O4S
Molecular Weight456.41 g/mol
Exact Mass456.08
IUPAC Name5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C17H15F3N6O4S/c1-10-13(8-21-26(10)14-6-7-15(27)25-24-14)16(28)23-11-2-4-12(5-3-11)31(29,30)22-9-17(18,19)20/h2-8,22H,9H2,1H3,(H,23,28)(H,25,27)
InChIKeyMJCBEXXORSSOGS-UHFFFAOYSA-N
XLogP1.36
TPSA138.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.41
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-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

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-4-carboxamide
CID 146085815
N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24675685
5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 146087347
N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 86919857
N-[3-(dimethylcarbamoylamino)-4-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 146090293
N-(9H-fluoren-2-yl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 39126414
1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 46589327
1-(4-methoxyphenyl)-2,5-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 24560064
N-(2,4-dichlorophenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24671988
N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47036083
methyl 2-[[3-[[5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]amino]phenyl]methylsulfanyl]acetate
CID 138046051
N-[3-(dimethylcarbamoylamino)-2-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 167868860

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide (CID 24674521) is 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is MJCBEXXORSSOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O4S/c1-10-13(8-21-26(10)14-6-7-15(27)25-24-14)16(28)23-11-2-4-12(5-3-11)31(29,30)22-9-17(18,19)20/h2-8,22H,9H2,1H3,(H,23,28)(H,25,27).
What are the key properties of 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide?
5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 456.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24674521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).