1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide

C25H30N4O5S — CID 55790397

IUPAC1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)nn3C(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C25H30N4O5S/c1-25(2,3)29-21(15-20(27-29)16-6-7-16)24(30)26-18-10-13-22(34-5)23(14-18)35(31,32)28-17-8-11-19(33-4)12-9-17/h8-16,28H,6-7H2,1-5H3,(H,26,30)
InChIKeyIMNSBANOKWVSPE-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.59
Rot. Bonds8

About 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide

1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide (PubChem CID 55790397) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide
PubChem CID55790397
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)nn3C(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C25H30N4O5S/c1-25(2,3)29-21(15-20(27-29)16-6-7-16)24(30)26-18-10-13-22(34-5)23(14-18)35(31,32)28-17-8-11-19(33-4)12-9-17/h8-16,28H,6-7H2,1-5H3,(H,26,30)
InChIKeyIMNSBANOKWVSPE-UHFFFAOYSA-N
XLogP4.59
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-tert-butyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-cyclopropylpyrazole-5-carboxamide
CID 55755173
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 18208108
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
3-ethylsulfanyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 55790257
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594
2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 167831780
cis-(1S,2R)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-nitrocyclopropane-1-carboxamide
CID 51951066
2-(2-fluorophenoxy)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3279228
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55836989
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4851871

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide (CID 55790397) is 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(C4CC4)nn3C(C)(C)C)ccc2OC)cc1.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide?
The InChIKey is IMNSBANOKWVSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-25(2,3)29-21(15-20(27-29)16-6-7-16)24(30)26-18-10-13-22(34-5)23(14-18)35(31,32)28-17-8-11-19(33-4)12-9-17/h8-16,28H,6-7H2,1-5H3,(H,26,30).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 55790397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).