N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

C19H18ClFN4O3S — CID 108802110

IUPACN-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C(=O)Nc3ccc(F)c(Cl)c3)cnn2C)cc1
InChIInChI=1S/C19H18ClFN4O3S/c1-12-4-7-14(8-5-12)29(27,28)25(3)19-15(11-22-24(19)2)18(26)23-13-6-9-17(21)16(20)10-13/h4-11H,1-3H3,(H,23,26)
InChIKeyHBYXXVTWPPDZPO-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.60
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide (PubChem CID 108802110) has the molecular formula C19H18ClFN4O3S and a molecular weight of 436.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
PubChem CID108802110
Molecular FormulaC19H18ClFN4O3S
Molecular Weight436.90 g/mol
Exact Mass436.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)c2c(C(=O)Nc3ccc(F)c(Cl)c3)cnn2C)cc1
InChIInChI=1S/C19H18ClFN4O3S/c1-12-4-7-14(8-5-12)29(27,28)25(3)19-15(11-22-24(19)2)18(26)23-13-6-9-17(21)16(20)10-13/h4-11H,1-3H3,(H,23,26)
InChIKeyHBYXXVTWPPDZPO-UHFFFAOYSA-N
XLogP3.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789276
N-(3H-benzimidazol-5-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802237
N-(2,3-dichlorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789206
N-(2-chloro-3-pyridinyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789287
N-benzhydryl-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789235
propyl 4-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
CID 108802167
N-[(2-chlorophenyl)methyl]-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108789226
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
methyl 2-hydroxy-3-[[1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carbonyl]amino]benzoate
CID 108802252
N-(3-cyano-4,5-dimethylfuran-2-yl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide
CID 108802173
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide (CID 108802110) is N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)Nc3ccc(F)c(Cl)c3)cnn2C)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
The InChIKey is HBYXXVTWPPDZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O3S/c1-12-4-7-14(8-5-12)29(27,28)25(3)19-15(11-22-24(19)2)18(26)23-13-6-9-17(21)16(20)10-13/h4-11H,1-3H3,(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-methyl-5-[methyl-(4-methylphenyl)sulfonylamino]pyrazole-4-carboxamide is sourced from PubChem (CID 108802110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).