5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide

C19H24N4O5S2 — CID 121035457

IUPAC5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C19H24N4O5S2/c20-30(27,28)16-5-1-13(2-6-16)7-9-21-19(24)17-11-18(14-3-4-14)23(22-17)15-8-10-29(25,26)12-15/h1-2,5-6,11,14-15H,3-4,7-10,12H2,(H,21,24)(H2,20,27,28)
InChIKeyLGCBSRWTXDZPQW-UHFFFAOYSA-N
MW452.56 g/mol
LogP0.74
Rot. Bonds7

About 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide

5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 121035457) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID121035457
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC Name5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C19H24N4O5S2/c20-30(27,28)16-5-1-13(2-6-16)7-9-21-19(24)17-11-18(14-3-4-14)23(22-17)15-8-10-29(25,26)12-15/h1-2,5-6,11,14-15H,3-4,7-10,12H2,(H,21,24)(H2,20,27,28)
InChIKeyLGCBSRWTXDZPQW-UHFFFAOYSA-N
XLogP0.74
TPSA141.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopropyl-N-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 21008630
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 110310800
5-cyclopropyl-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxylate
CID 9125102
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 110312137
N-tert-butyl-5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 21008591
5-cyclopropyl-N-[[1-(dimethylamino)-4-methylcyclohexyl]methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide
CID 92583737
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrazole-3-carboxamide
CID 110295501
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpyrazole-3-carboxamide
CID 42343543
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 51662434
N-(4-bromo-3-methylphenyl)-5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 121035442
5-cyclopropyl-N-[4-(dimethylamino)phenyl]-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 17015993
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-pyridin-3-ylpyrazole-3-carboxamide
CID 21008535

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide (CID 121035457) is 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is LGCBSRWTXDZPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S2/c20-30(27,28)16-5-1-13(2-6-16)7-9-21-19(24)17-11-18(14-3-4-14)23(22-17)15-8-10-29(25,26)12-15/h1-2,5-6,11,14-15H,3-4,7-10,12H2,(H,21,24)(H2,20,27,28).
What are the key properties of 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide?
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 121035457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).