4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide

C13H11ClF3N3O2 — CID 19266958

IUPAC4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2ccc(F)cc2OC(F)F)nn1C
InChIInChI=1S/C13H11ClF3N3O2/c1-6-10(14)11(19-20(6)2)12(21)18-8-4-3-7(15)5-9(8)22-13(16)17/h3-5,13H,1-2H3,(H,18,21)
InChIKeyIVIILNZPUGAZRJ-UHFFFAOYSA-N
MW333.70 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide

4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266958) has the molecular formula C13H11ClF3N3O2 and a molecular weight of 333.70 g/mol. Its IUPAC name is 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266958
Molecular FormulaC13H11ClF3N3O2
Molecular Weight333.70 g/mol
Exact Mass333.05
IUPAC Name4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)Nc2ccc(F)cc2OC(F)F)nn1C
InChIInChI=1S/C13H11ClF3N3O2/c1-6-10(14)11(19-20(6)2)12(21)18-8-4-3-7(15)5-9(8)22-13(16)17/h3-5,13H,1-2H3,(H,18,21)
InChIKeyIVIILNZPUGAZRJ-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.70
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-4-fluorophenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262147
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468343
4-chloro-N-(3-fluorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 39853991
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
CID 19523555
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19275512
N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474471
N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557669
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
4-bromo-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268276
4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481621
4-chloro-1,5-dimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxamide
CID 19266677
4-bromo-N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35591245

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide (CID 19266958) is 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)Nc2ccc(F)cc2OC(F)F)nn1C.
What is the InChIKey of 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is IVIILNZPUGAZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2/c1-6-10(14)11(19-20(6)2)12(21)18-8-4-3-7(15)5-9(8)22-13(16)17/h3-5,13H,1-2H3,(H,18,21).
What are the key properties of 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide?
4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 333.70 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).