1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide

C25H30N4O4S — CID 55883271

IUPAC1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)ccc1C
InChIInChI=1S/C25H30N4O4S/c1-16-10-13-18(14-23(16)34(31,32)28-19-8-6-7-9-22(19)33-5)26-24(30)20-15-21(17-11-12-17)29(27-20)25(2,3)4/h6-10,13-15,17,28H,11-12H2,1-5H3,(H,26,30)
InChIKeyHIHPWMDVJMKTQA-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.89
Rot. Bonds7

About 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide (PubChem CID 55883271) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
PubChem CID55883271
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)ccc1C
InChIInChI=1S/C25H30N4O4S/c1-16-10-13-18(14-23(16)34(31,32)28-19-8-6-7-9-22(19)33-5)26-24(30)20-15-21(17-11-12-17)29(27-20)25(2,3)4/h6-10,13-15,17,28H,11-12H2,1-5H3,(H,26,30)
InChIKeyHIHPWMDVJMKTQA-UHFFFAOYSA-N
XLogP4.89
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-5-cyclopropyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]pyrazole-3-carboxamide
CID 55946932
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
CID 167920194
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631489
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
1-cyclopropyl-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 7942694
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417426
5-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24513759
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide (CID 55883271) is 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)ccc1C.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide?
The InChIKey is HIHPWMDVJMKTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-16-10-13-18(14-23(16)34(31,32)28-19-8-6-7-9-22(19)33-5)26-24(30)20-15-21(17-11-12-17)29(27-20)25(2,3)4/h6-10,13-15,17,28H,11-12H2,1-5H3,(H,26,30).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55883271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).