[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate

C14H13F3N2O4 — CID 58013968

IUPAC[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate
SMILESCC(=O)OCc1ccc(C2OCCO2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C14H13F3N2O4/c1-8(20)23-7-9-2-3-10(13-21-4-5-22-13)11-6-12(14(15,16)17)18-19(9)11/h2-3,6,13H,4-5,7H2,1H3
InChIKeyWEVJNCMPCZJPOJ-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.46
Rot. Bonds3

About [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate

[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate (PubChem CID 58013968) has the molecular formula C14H13F3N2O4 and a molecular weight of 330.26 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate
PubChem CID58013968
Molecular FormulaC14H13F3N2O4
Molecular Weight330.26 g/mol
Exact Mass330.08
IUPAC Name[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate
SMILESCC(=O)OCc1ccc(C2OCCO2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C14H13F3N2O4/c1-8(20)23-7-9-2-3-10(13-21-4-5-22-13)11-6-12(14(15,16)17)18-19(9)11/h2-3,6,13H,4-5,7H2,1H3
InChIKeyWEVJNCMPCZJPOJ-UHFFFAOYSA-N
XLogP2.46
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The IUPAC name of [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate (CID 58013968) is [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate is CC(=O)OCc1ccc(C2OCCO2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The InChIKey is WEVJNCMPCZJPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4/c1-8(20)23-7-9-2-3-10(13-21-4-5-22-13)11-6-12(14(15,16)17)18-19(9)11/h2-3,6,13H,4-5,7H2,1H3.
What are the key properties of [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate has a molecular weight of 330.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate is sourced from PubChem (CID 58013968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).