3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide

C22H26N4O3S — CID 57394706

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H26N4O3S/c1-4-17(5-2)23-22(27)20-15-26(18-9-7-6-8-10-18)24-21(20)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17H,4-5H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyQZDKZPDCVTYPII-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.90
Rot. Bonds8

About 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide

3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide (PubChem CID 57394706) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
PubChem CID57394706
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C22H26N4O3S/c1-4-17(5-2)23-22(27)20-15-26(18-9-7-6-8-10-18)24-21(20)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17H,4-5H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyQZDKZPDCVTYPII-UHFFFAOYSA-N
XLogP3.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide (CID 57394706) is 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The InChIKey is QZDKZPDCVTYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-17(5-2)23-22(27)20-15-26(18-9-7-6-8-10-18)24-21(20)25-30(28,29)19-13-11-16(3)12-14-19/h6-15,17H,4-5H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57394706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).