3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one

C14H13F3N4O2 — CID 16666622

IUPAC3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one
SMILESCOc1ccc(C2=NNC(=O)C2(C)C)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C14H13F3N4O2/c1-13(2)11(18-19-12(13)22)7-4-5-10(23-3)21-8(7)6-9(20-21)14(15,16)17/h4-6H,1-3H3,(H,19,22)
InChIKeyDFVJWLRSIVTIHA-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.22
Rot. Bonds2

About 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one

3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one (PubChem CID 16666622) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one
PubChem CID16666622
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one
SMILESCOc1ccc(C2=NNC(=O)C2(C)C)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C14H13F3N4O2/c1-13(2)11(18-19-12(13)22)7-4-5-10(23-3)21-8(7)6-9(20-21)14(15,16)17/h4-6H,1-3H3,(H,19,22)
InChIKeyDFVJWLRSIVTIHA-UHFFFAOYSA-N
XLogP2.22
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one (CID 16666622) is 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one is COc1ccc(C2=NNC(=O)C2(C)C)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one?
The InChIKey is DFVJWLRSIVTIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c1-13(2)11(18-19-12(13)22)7-4-5-10(23-3)21-8(7)6-9(20-21)14(15,16)17/h4-6H,1-3H3,(H,19,22).
What are the key properties of 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one?
3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one has a molecular weight of 326.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 16666622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).