[4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate

C15H10F3N3O2 — CID 66719955

IUPAC[4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)n1ccc2cnnc-2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)12-3-1-10(2-4-12)9-23-14(22)21-6-5-11-7-19-20-13(11)8-21/h1-8H,9H2
InChIKeyQZSBTYJIEDUPOP-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.59
Rot. Bonds2

About [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate

[4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate (PubChem CID 66719955) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate
PubChem CID66719955
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name[4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1)n1ccc2cnnc-2c1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)12-3-1-10(2-4-12)9-23-14(22)21-6-5-11-7-19-20-13(11)8-21/h1-8H,9H2
InChIKeyQZSBTYJIEDUPOP-UHFFFAOYSA-N
XLogP3.59
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-(2-fluorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264041
1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264202
[(1R)-1-(3,4-difluorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264252
[(1S)-2,2,2-trifluoro-1-phenylethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264386
[(1R)-1-(3-fluorophenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264548
Benzyl pyrrolo[3,2-c]pyridine-1-carboxylate
CID 71061443
benzyl (5-((2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 60171693
benzyl 2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate
CID 66523230
Benzyl 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 67972034
benzyl N-[5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]carbamate
CID 72673017
[3,5-bis(trifluoromethyl)phenyl]methyl 2-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 90461612
[3-Methyl-5-(trifluoromethyl)phenyl]methyl 2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 117616633

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate?
The IUPAC name of [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate (CID 66719955) is [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate is O=C(OCc1ccc(C(F)(F)F)cc1)n1ccc2cnnc-2c1.
What is the InChIKey of [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate?
The InChIKey is QZSBTYJIEDUPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)12-3-1-10(2-4-12)9-23-14(22)21-6-5-11-7-19-20-13(11)8-21/h1-8H,9H2.
What are the key properties of [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate?
[4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate has a molecular weight of 321.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl]methyl pyrazolo[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 66719955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).