N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

C20H21ClN4O3S — CID 108789226

IUPACN-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C(=O)NCc3ccccc3Cl)cnn2C)cc1
InChIInChI=1S/C20H21ClN4O3S/c1-14-8-10-16(11-9-14)29(27,28)25(3)20-17(13-23-24(20)2)19(26)22-12-15-6-4-5-7-18(15)21/h4-11,13H,12H2,1-3H3,(H,22,26)
InChIKeyBWZRMNRRWSHWIH-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.14
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide (PubChem CID 108789226) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
PubChem CID108789226
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C(=O)NCc3ccccc3Cl)cnn2C)cc1
InChIInChI=1S/C20H21ClN4O3S/c1-14-8-10-16(11-9-14)29(27,28)25(3)20-17(13-23-24(20)2)19(26)22-12-15-6-4-5-7-18(15)21/h4-11,13H,12H2,1-3H3,(H,22,26)
InChIKeyBWZRMNRRWSHWIH-UHFFFAOYSA-N
XLogP3.14
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789220
N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789235
N-(2-chloro-3-pyridinyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789287
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
ethyl 1-methyl-5-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]pyrazole-4-carboxylate
CID 108802199
2-[4-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]phenyl]acetic acid
CID 108802205
5-[benzenesulfonyl(methyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 20983621
methyl 2-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
CID 108802252
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108810960
1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 108802223
1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]pyrazole-4-carboxamide
CID 108789251

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide (CID 108789226) is N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)NCc3ccccc3Cl)cnn2C)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The InChIKey is BWZRMNRRWSHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-14-8-10-16(11-9-14)29(27,28)25(3)20-17(13-23-24(20)2)19(26)22-12-15-6-4-5-7-18(15)21/h4-11,13H,12H2,1-3H3,(H,22,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide has a molecular weight of 432.93 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide is sourced from PubChem (CID 108789226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).