N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C23H25FN4O3S — CID 55521376

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cnn1-c1ccccc1F
InChIInChI=1S/C23H25FN4O3S/c1-17-20(16-25-28(17)22-9-5-4-8-21(22)24)23(29)26-18-10-12-19(13-11-18)32(30,31)27-14-6-2-3-7-15-27/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,26,29)
InChIKeyXZPZTNBLQWPOIY-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.14
Rot. Bonds5

About N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55521376) has the molecular formula C23H25FN4O3S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID55521376
Molecular FormulaC23H25FN4O3S
Molecular Weight456.54 g/mol
Exact Mass456.16
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cnn1-c1ccccc1F
InChIInChI=1S/C23H25FN4O3S/c1-17-20(16-25-28(17)22-9-5-4-8-21(22)24)23(29)26-18-10-12-19(13-11-18)32(30,31)27-14-6-2-3-7-15-27/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,26,29)
InChIKeyXZPZTNBLQWPOIY-UHFFFAOYSA-N
XLogP4.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-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

1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813716
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521747
5-methyl-1-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazole-4-carboxamide
CID 55607152
1-(2-fluorophenyl)-5-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 33495801
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55688274
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
1-(2-fluorophenyl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrazole-4-carboxamide
CID 37186741
5-ethyl-1-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
CID 55581735
2,6-difluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1247061

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 55521376) is N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cnn1-c1ccccc1F.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is XZPZTNBLQWPOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S/c1-17-20(16-25-28(17)22-9-5-4-8-21(22)24)23(29)26-18-10-12-19(13-11-18)32(30,31)27-14-6-2-3-7-15-27/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,26,29).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55521376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).