N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

C26H26N4O3S — CID 108789235

IUPACN-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C(=O)NC(c3ccccc3)c3ccccc3)cnn2C)cc1
InChIInChI=1S/C26H26N4O3S/c1-19-14-16-22(17-15-19)34(32,33)30(3)26-23(18-27-29(26)2)25(31)28-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24H,1-3H3,(H,28,31)
InChIKeyIAZKIYFBBJZZGH-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.07
Rot. Bonds7

About N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide (PubChem CID 108789235) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
PubChem CID108789235
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C(=O)NC(c3ccccc3)c3ccccc3)cnn2C)cc1
InChIInChI=1S/C26H26N4O3S/c1-19-14-16-22(17-15-19)34(32,33)30(3)26-23(18-27-29(26)2)25(31)28-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24H,1-3H3,(H,28,31)
InChIKeyIAZKIYFBBJZZGH-UHFFFAOYSA-N
XLogP4.07
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789226
N-(2,3-dichlorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789206
N-(2-methoxyethyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789220
5-[benzenesulfonyl(methyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 20983621
N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802110
N-(2-chloro-3-pyridinyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789287
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 108802223
ethyl 1-methyl-5-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]pyrazole-4-carboxylate
CID 108802199
methyl 2-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
CID 108802252
2-[4-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]phenyl]acetic acid
CID 108802205
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789276

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The IUPAC name of N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide (CID 108789235) is N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide.
What is the SMILES notation for N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The canonical SMILES for N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)NC(c3ccccc3)c3ccccc3)cnn2C)cc1.
What is the InChIKey of N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The InChIKey is IAZKIYFBBJZZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-19-14-16-22(17-15-19)34(32,33)30(3)26-23(18-27-29(26)2)25(31)28-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24H,1-3H3,(H,28,31).
What are the key properties of N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide is sourced from PubChem (CID 108789235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).