5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

C23H27N5O3S — CID 57392883

IUPAC5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCN(C)CC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C23H27N5O3S/c1-17-8-10-20(11-9-17)32(30,31)26-22-21(16-24-28(22)19-6-4-3-5-7-19)23(29)25-18-12-14-27(2)15-13-18/h3-11,16,18,26H,12-15H2,1-2H3,(H,25,29)
InChIKeyFDFRELUVMJQWBF-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.81
Rot. Bonds6

About 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide

5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 57392883) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID57392883
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCN(C)CC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C23H27N5O3S/c1-17-8-10-20(11-9-17)32(30,31)26-22-21(16-24-28(22)19-6-4-3-5-7-19)23(29)25-18-12-14-27(2)15-13-18/h3-11,16,18,26H,12-15H2,1-2H3,(H,25,29)
InChIKeyFDFRELUVMJQWBF-UHFFFAOYSA-N
XLogP2.81
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide (CID 57392883) is 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCN(C)CC3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is FDFRELUVMJQWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-17-8-10-20(11-9-17)32(30,31)26-22-21(16-24-28(22)19-6-4-3-5-7-19)23(29)25-18-12-14-27(2)15-13-18/h3-11,16,18,26H,12-15H2,1-2H3,(H,25,29).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57392883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).