N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C17H21N3O3S — CID 75396959

IUPACN-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)NS(=O)(=O)c2ccccc2)c1C1CC1
InChIInChI=1S/C17H21N3O3S/c1-12(2)11-20-16(13-8-9-13)15(10-18-20)17(21)19-24(22,23)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21)
InChIKeyBUOSXGMHXGUKPX-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.54
Rot. Bonds6

About N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 75396959) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID75396959
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)Cn1ncc(C(=O)NS(=O)(=O)c2ccccc2)c1C1CC1
InChIInChI=1S/C17H21N3O3S/c1-12(2)11-20-16(13-8-9-13)15(10-18-20)17(21)19-24(22,23)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21)
InChIKeyBUOSXGMHXGUKPX-UHFFFAOYSA-N
XLogP2.54
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 75396959) is N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)Cn1ncc(C(=O)NS(=O)(=O)c2ccccc2)c1C1CC1.
What is the InChIKey of N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is BUOSXGMHXGUKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12(2)11-20-16(13-8-9-13)15(10-18-20)17(21)19-24(22,23)14-6-4-3-5-7-14/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75396959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).