5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide

C16H11F3N6O2 — CID 91632823

IUPAC5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H11F3N6O2/c17-16(18,19)9-3-1-5-25-13(23-24-14(9)25)8-20-15(26)11-7-10(21-22-11)12-4-2-6-27-12/h1-7H,8H2,(H,20,26)(H,21,22)
InChIKeyJZEYSIWTZZAOAE-UHFFFAOYSA-N
MW376.30 g/mol
LogP2.66
Rot. Bonds4

About 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 91632823) has the molecular formula C16H11F3N6O2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID91632823
Molecular FormulaC16H11F3N6O2
Molecular Weight376.30 g/mol
Exact Mass376.09
IUPAC Name5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H11F3N6O2/c17-16(18,19)9-3-1-5-25-13(23-24-14(9)25)8-20-15(26)11-7-10(21-22-11)12-4-2-6-27-12/h1-7H,8H2,(H,20,26)(H,21,22)
InChIKeyJZEYSIWTZZAOAE-UHFFFAOYSA-N
XLogP2.66
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide (CID 91632823) is 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is JZEYSIWTZZAOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O2/c17-16(18,19)9-3-1-5-25-13(23-24-14(9)25)8-20-15(26)11-7-10(21-22-11)12-4-2-6-27-12/h1-7H,8H2,(H,20,26)(H,21,22).
What are the key properties of 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91632823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).