1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide

C18H15F3N4O — CID 156852836

IUPAC1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cc(Cc3cc(F)cc(C(F)F)c3)ccn2)n1
InChIInChI=1S/C18H15F3N4O/c1-22-18(26)15-3-5-25(24-15)16-9-11(2-4-23-16)6-12-7-13(17(20)21)10-14(19)8-12/h2-5,7-10,17H,6H2,1H3,(H,22,26)
InChIKeyCTSDHSHJCRSCJO-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.29
Rot. Bonds5

About 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide

1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide (PubChem CID 156852836) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide
PubChem CID156852836
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2cc(Cc3cc(F)cc(C(F)F)c3)ccn2)n1
InChIInChI=1S/C18H15F3N4O/c1-22-18(26)15-3-5-25(24-15)16-9-11(2-4-23-16)6-12-7-13(17(20)21)10-14(19)8-12/h2-5,7-10,17H,6H2,1H3,(H,22,26)
InChIKeyCTSDHSHJCRSCJO-UHFFFAOYSA-N
XLogP3.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-3-methylpyrazole-4-carboxylate
CID 156852713
1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 156852785
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 106531169
4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]pyridine
CID 175818404
1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 172828570
(2E)-2-[[[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]amino]methylidene]-3-(methylamino)butanal
CID 156852831
1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64780996
1-[2-(aminomethyl)-4-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64781708
1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780167
1-(5-amino-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64782073
1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-5-methylpyrazole-3-carboxylic acid
CID 156852723
1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 79170438

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide (CID 156852836) is 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2cc(Cc3cc(F)cc(C(F)F)c3)ccn2)n1.
What is the InChIKey of 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is CTSDHSHJCRSCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-22-18(26)15-3-5-25(24-15)16-9-11(2-4-23-16)6-12-7-13(17(20)21)10-14(19)8-12/h2-5,7-10,17H,6H2,1H3,(H,22,26).
What are the key properties of 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide?
1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(difluoromethyl)-5-fluorophenyl]methyl]-2-pyridinyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 156852836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).