N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C18H12F5N3O — CID 134308060

IUPACN-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2c(-c3ccc(F)cc3)ccc(F)c2F)c(C(F)F)n1
InChIInChI=1S/C18H12F5N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-11(6-7-13(20)14(15)21)9-2-4-10(19)5-3-9/h2-8,17H,1H3,(H,24,27)
InChIKeyFOZFDVABCZTJCT-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.69
Rot. Bonds4

About N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 134308060) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID134308060
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC NameN-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2c(-c3ccc(F)cc3)ccc(F)c2F)c(C(F)F)n1
InChIInChI=1S/C18H12F5N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-11(6-7-13(20)14(15)21)9-2-4-10(19)5-3-9/h2-8,17H,1H3,(H,24,27)
InChIKeyFOZFDVABCZTJCT-UHFFFAOYSA-N
XLogP4.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 134308060) is N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2c(-c3ccc(F)cc3)ccc(F)c2F)c(C(F)F)n1.
What is the InChIKey of N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is FOZFDVABCZTJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-11(6-7-13(20)14(15)21)9-2-4-10(19)5-3-9/h2-8,17H,1H3,(H,24,27).
What are the key properties of N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-6-(4-fluorophenyl)phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 134308060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).