2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol

C15H15F3N2O2 — CID 118706770

IUPAC2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol
SMILESOC1(C(F)(F)F)CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C15H15F3N2O2/c16-15(17,18)14(21)7-4-8-20-13(14)9-11(19-20)10-22-12-5-2-1-3-6-12/h1-3,5-6,9,21H,4,7-8,10H2
InChIKeyUTUIZXAVDVJDIX-UHFFFAOYSA-N
MW312.29 g/mol
LogP3.01
Rot. Bonds3

About 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol

2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol (PubChem CID 118706770) has the molecular formula C15H15F3N2O2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol
PubChem CID118706770
Molecular FormulaC15H15F3N2O2
Molecular Weight312.29 g/mol
Exact Mass312.11
IUPAC Name2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol
SMILESOC1(C(F)(F)F)CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C15H15F3N2O2/c16-15(17,18)14(21)7-4-8-20-13(14)9-11(19-20)10-22-12-5-2-1-3-6-12/h1-3,5-6,9,21H,4,7-8,10H2
InChIKeyUTUIZXAVDVJDIX-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol (CID 118706770) is 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol.
What is the SMILES notation for 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol is OC1(C(F)(F)F)CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is UTUIZXAVDVJDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2/c16-15(17,18)14(21)7-4-8-20-13(14)9-11(19-20)10-22-12-5-2-1-3-6-12/h1-3,5-6,9,21H,4,7-8,10H2.
What are the key properties of 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol?
2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol has a molecular weight of 312.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 118706770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).