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

C19H28N4O3S — CID 57403415

IUPAC5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28N4O3S/c1-6-15(7-2)21-19(24)17-12-20-23(13(3)4)18(17)22-27(25,26)16-10-8-14(5)9-11-16/h8-13,15,22H,6-7H2,1-5H3,(H,21,24)
InChIKeyRRTBFOFYBPHDKZ-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.49
Rot. Bonds8

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

5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 57403415) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID57403415
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28N4O3S/c1-6-15(7-2)21-19(24)17-12-20-23(13(3)4)18(17)22-27(25,26)16-10-8-14(5)9-11-16/h8-13,15,22H,6-7H2,1-5H3,(H,21,24)
InChIKeyRRTBFOFYBPHDKZ-UHFFFAOYSA-N
XLogP3.49
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide (CID 57403415) is 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cnn(C(C)C)c1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is RRTBFOFYBPHDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-6-15(7-2)21-19(24)17-12-20-23(13(3)4)18(17)22-27(25,26)16-10-8-14(5)9-11-16/h8-13,15,22H,6-7H2,1-5H3,(H,21,24).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 57403415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).