1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide

C18H12F5N3O — CID 118483971

IUPAC1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide
SMILESCC(F)(F)n1cc(C(=O)Nc2c(F)cccc2-c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H12F5N3O/c1-18(22,23)26-9-11(8-24-26)17(27)25-16-12(3-2-4-14(16)20)10-5-6-13(19)15(21)7-10/h2-9H,1H3,(H,25,27)
InChIKeyJXBMTJFVHCNYSQ-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.79
Rot. Bonds4

About 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide

1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide (PubChem CID 118483971) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide
PubChem CID118483971
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC Name1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide
SMILESCC(F)(F)n1cc(C(=O)Nc2c(F)cccc2-c2ccc(F)c(F)c2)cn1
InChIInChI=1S/C18H12F5N3O/c1-18(22,23)26-9-11(8-24-26)17(27)25-16-12(3-2-4-14(16)20)10-5-6-13(19)15(21)7-10/h2-9H,1H3,(H,25,27)
InChIKeyJXBMTJFVHCNYSQ-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[chloro(difluoro)methyl]-1-methylpyrazole-4-carboxamide;1,2-difluoro-4-(2-fluorophenyl)benzene
CID 158779533
N-[2-(4-chlorophenyl)-6-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 138694028
N-[2-(3-chloro-4-fluorophenyl)-6-fluorophenyl]-1-methyl-3-(1,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 87676762
3-(difluoromethyl)-N-[2-fluoro-6-(3-fluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 162541328
1-methyl-N-[2-(2,4,5-trifluorophenyl)phenyl]pyrazole-4-carboxamide
CID 141207933
1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide
CID 71849188
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
2-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109270748
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
2-[4-[(1-tert-butylpyrazole-4-carbonyl)amino]-2-fluorophenoxy]propanoic acid
CID 136556572
5-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109246460

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide (CID 118483971) is 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide is CC(F)(F)n1cc(C(=O)Nc2c(F)cccc2-c2ccc(F)c(F)c2)cn1.
What is the InChIKey of 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide?
The InChIKey is JXBMTJFVHCNYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c1-18(22,23)26-9-11(8-24-26)17(27)25-16-12(3-2-4-14(16)20)10-5-6-13(19)15(21)7-10/h2-9H,1H3,(H,25,27).
What are the key properties of 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide?
1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide has a molecular weight of 381.30 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-N-[2-(3,4-difluorophenyl)-6-fluorophenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 118483971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).