4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H11ClF5N3O2 — CID 19481621

IUPAC4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c(OC(F)F)c1
InChIInChI=1S/C14H11ClF5N3O2/c1-6-3-4-7(8(5-6)25-13(16)17)21-12(24)10-9(15)11(14(18,19)20)22-23(10)2/h3-5,13H,1-2H3,(H,21,24)
InChIKeyQONXMDNUJKVFHB-UHFFFAOYSA-N
MW383.70 g/mol
LogP4.25
Rot. Bonds4

About 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19481621) has the molecular formula C14H11ClF5N3O2 and a molecular weight of 383.70 g/mol. Its IUPAC name is 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19481621
Molecular FormulaC14H11ClF5N3O2
Molecular Weight383.70 g/mol
Exact Mass383.05
IUPAC Name4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c(OC(F)F)c1
InChIInChI=1S/C14H11ClF5N3O2/c1-6-3-4-7(8(5-6)25-13(16)17)21-12(24)10-9(15)11(14(18,19)20)22-23(10)2/h3-5,13H,1-2H3,(H,21,24)
InChIKeyQONXMDNUJKVFHB-UHFFFAOYSA-N
XLogP4.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268276
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
CID 19523555
N-(4-bromo-2-fluorophenyl)-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481522
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-5-methylphenyl]acetamide
CID 19523438
N-[2-(difluoromethoxy)-4-methylphenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449408
5-tert-butyl-N-[2-(difluoromethoxy)-4-methylphenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466300
4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266958
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-methylphenyl]acetamide
CID 19526148
2-[3-[[2-(difluoromethoxy)-4-methylphenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504196
4-chloro-N-(2-cyano-4-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481744
7-[chloro(difluoro)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19458070
4-chloro-1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481523

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19481621) is 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2c(Cl)c(C(F)(F)F)nn2C)c(OC(F)F)c1.
What is the InChIKey of 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is QONXMDNUJKVFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF5N3O2/c1-6-3-4-7(8(5-6)25-13(16)17)21-12(24)10-9(15)11(14(18,19)20)22-23(10)2/h3-5,13H,1-2H3,(H,21,24).
What are the key properties of 4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 383.70 g/mol, XLogP of 4.25, 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-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19481621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).