4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide

C12H10ClF2N3OS — CID 19931932

IUPAC4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide
SMILESCN(C)C(=O)n1cc(Cl)c(Sc2c(F)cccc2F)n1
InChIInChI=1S/C12H10ClF2N3OS/c1-17(2)12(19)18-6-7(13)11(16-18)20-10-8(14)4-3-5-9(10)15/h3-6H,1-2H3
InChIKeyRZOPPCSJMNUHLU-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.50
Rot. Bonds2

About 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide

4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide (PubChem CID 19931932) has the molecular formula C12H10ClF2N3OS and a molecular weight of 317.75 g/mol. Its IUPAC name is 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide
PubChem CID19931932
Molecular FormulaC12H10ClF2N3OS
Molecular Weight317.75 g/mol
Exact Mass317.02
IUPAC Name4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide
SMILESCN(C)C(=O)n1cc(Cl)c(Sc2c(F)cccc2F)n1
InChIInChI=1S/C12H10ClF2N3OS/c1-17(2)12(19)18-6-7(13)11(16-18)20-10-8(14)4-3-5-9(10)15/h3-6H,1-2H3
InChIKeyRZOPPCSJMNUHLU-UHFFFAOYSA-N
XLogP3.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide (CID 19931932) is 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide is CN(C)C(=O)n1cc(Cl)c(Sc2c(F)cccc2F)n1.
What is the InChIKey of 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide?
The InChIKey is RZOPPCSJMNUHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3OS/c1-17(2)12(19)18-6-7(13)11(16-18)20-10-8(14)4-3-5-9(10)15/h3-6H,1-2H3.
What are the key properties of 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide?
4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide has a molecular weight of 317.75 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,6-difluorophenyl)sulfanyl-N,N-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 19931932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).