N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

C20H20N6O3S — CID 108802237

IUPACN-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C(=O)Nc3ccc4nc[nH]c4c3)cnn2C)cc1
InChIInChI=1S/C20H20N6O3S/c1-13-4-7-15(8-5-13)30(28,29)26(3)20-16(11-23-25(20)2)19(27)24-14-6-9-17-18(10-14)22-12-21-17/h4-12H,1-3H3,(H,21,22)(H,24,27)
InChIKeyFDUGVDKCQDKCOA-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.68
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide (PubChem CID 108802237) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
PubChem CID108802237
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC NameN-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C(=O)Nc3ccc4nc[nH]c4c3)cnn2C)cc1
InChIInChI=1S/C20H20N6O3S/c1-13-4-7-15(8-5-13)30(28,29)26(3)20-16(11-23-25(20)2)19(27)24-14-6-9-17-18(10-14)22-12-21-17/h4-12H,1-3H3,(H,21,22)(H,24,27)
InChIKeyFDUGVDKCQDKCOA-UHFFFAOYSA-N
XLogP2.68
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802110
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789276
propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
CID 108802167
N-(2-chloro-3-pyridinyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789287
2-[4-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]phenyl]acetic acid
CID 108802205
N-(2,3-dichlorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789206
ethyl 1-methyl-5-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]pyrazole-4-carboxylate
CID 108802199
N-(2-methoxyethyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789220
1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 108802223
N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789235
N-(3-cyano-4,5-dimethylfuran-2-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802173
methyl 2-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
CID 108802252

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide (CID 108802237) is N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)Nc3ccc4nc[nH]c4c3)cnn2C)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The InChIKey is FDUGVDKCQDKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-13-4-7-15(8-5-13)30(28,29)26(3)20-16(11-23-25(20)2)19(27)24-14-6-9-17-18(10-14)22-12-21-17/h4-12H,1-3H3,(H,21,22)(H,24,27).
What are the key properties of N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide is sourced from PubChem (CID 108802237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).