1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide

C17H12F4N4O — CID 156852738

IUPAC1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C17H12F4N4O/c18-13-4-10(3-12(6-13)17(19,20)21)5-14-7-15(1-2-23-14)25-9-11(8-24-25)16(22)26/h1-4,6-9H,5H2,(H2,22,26)
InChIKeyLIWYXCDJEGOSBA-UHFFFAOYSA-N
MW364.30 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide

1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide (PubChem CID 156852738) has the molecular formula C17H12F4N4O and a molecular weight of 364.30 g/mol. Its IUPAC name is 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID156852738
Molecular FormulaC17H12F4N4O
Molecular Weight364.30 g/mol
Exact Mass364.09
IUPAC Name1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C17H12F4N4O/c18-13-4-10(3-12(6-13)17(19,20)21)5-14-7-15(1-2-23-14)25-9-11(8-24-25)16(22)26/h1-4,6-9H,5H2,(H2,22,26)
InChIKeyLIWYXCDJEGOSBA-UHFFFAOYSA-N
XLogP3.11
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
CID 64781605
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64782151
ethyl 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyrazole-4-carboxylate
CID 156735577
2-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-3-methyl-4H-triazole-5-carboxamide
CID 156852896
2-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrazole-3-carboxylic acid
CID 166732137
1-[4-carbamothioyl-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64781403
1-[2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-4-pyridinyl]pyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117076808
1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 64782726
1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 156735505
3-amino-2-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]iminomethyl]-N-(2-hydroxyethyl)but-2-enamide
CID 156852792
5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine
CID 66827174

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide (CID 156852738) is 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is LIWYXCDJEGOSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O/c18-13-4-10(3-12(6-13)17(19,20)21)5-14-7-15(1-2-23-14)25-9-11(8-24-25)16(22)26/h1-4,6-9H,5H2,(H2,22,26).
What are the key properties of 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide?
1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 364.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 156852738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).