5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

C18H14ClF2N3OS — CID 1486901

IUPAC5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Sc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H14ClF2N3OS/c1-10-16(17(25)22-15-7-6-12(20)9-14(15)21)18(24(2)23-10)26-13-5-3-4-11(19)8-13/h3-9H,1-2H3,(H,22,25)
InChIKeyBYROOYWMTJBALO-UHFFFAOYSA-N
MW393.85 g/mol
LogP5.06
Rot. Bonds4

About 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 1486901) has the molecular formula C18H14ClF2N3OS and a molecular weight of 393.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID1486901
Molecular FormulaC18H14ClF2N3OS
Molecular Weight393.85 g/mol
Exact Mass393.05
IUPAC Name5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Sc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H14ClF2N3OS/c1-10-16(17(25)22-15-7-6-12(20)9-14(15)21)18(24(2)23-10)26-13-5-3-4-11(19)8-13/h3-9H,1-2H3,(H,22,25)
InChIKeyBYROOYWMTJBALO-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.85
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)sulfanyl-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241539
5-(4-chlorophenyl)sulfanyl-1,3-dimethyl-N-phenylpyrazole-4-carboxamide
CID 2766863
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 18718226
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510
N-(2,4-difluorophenyl)-5-[2-fluoro-6-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 90271499
5-chloro-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28548365
N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 163527402
N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide
CID 71846877
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 1486901) is 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(Sc2cccc(Cl)c2)c1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is BYROOYWMTJBALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3OS/c1-10-16(17(25)22-15-7-6-12(20)9-14(15)21)18(24(2)23-10)26-13-5-3-4-11(19)8-13/h3-9H,1-2H3,(H,22,25).
What are the key properties of 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 393.85 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 1486901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).