1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide

C22H25ClN4O3S — CID 57401680

IUPAC1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(-c2ccccc2Cl)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H25ClN4O3S/c1-4-16(5-2)25-22(28)18-14-24-27(20-9-7-6-8-19(20)23)21(18)26-31(29,30)17-12-10-15(3)11-13-17/h6-14,16,26H,4-5H2,1-3H3,(H,25,28)
InChIKeyGZGDVCWRIYBOCH-UHFFFAOYSA-N
MW460.99 g/mol
LogP4.55
Rot. Bonds8

About 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide

1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide (PubChem CID 57401680) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
PubChem CID57401680
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(-c2ccccc2Cl)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H25ClN4O3S/c1-4-16(5-2)25-22(28)18-14-24-27(20-9-7-6-8-19(20)23)21(18)26-31(29,30)17-12-10-15(3)11-13-17/h6-14,16,26H,4-5H2,1-3H3,(H,25,28)
InChIKeyGZGDVCWRIYBOCH-UHFFFAOYSA-N
XLogP4.55
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide (CID 57401680) is 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cnn(-c2ccccc2Cl)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
The InChIKey is GZGDVCWRIYBOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-4-16(5-2)25-22(28)18-14-24-27(20-9-7-6-8-19(20)23)21(18)26-31(29,30)17-12-10-15(3)11-13-17/h6-14,16,26H,4-5H2,1-3H3,(H,25,28).
What are the key properties of 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide?
1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide has a molecular weight of 460.99 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 57401680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).