8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C13H12F3N3O2 — CID 121389408

IUPAC8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCn1nc(C(F)(F)F)cc1-c1cncc2c1COCC2O
InChIInChI=1S/C13H12F3N3O2/c1-19-10(2-12(18-19)13(14,15)16)7-3-17-4-8-9(7)5-21-6-11(8)20/h2-4,11,20H,5-6H2,1H3
InChIKeyPRYHLCCCTXHEFG-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.06
Rot. Bonds1

About 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 121389408) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID121389408
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILESCn1nc(C(F)(F)F)cc1-c1cncc2c1COCC2O
InChIInChI=1S/C13H12F3N3O2/c1-19-10(2-12(18-19)13(14,15)16)7-3-17-4-8-9(7)5-21-6-11(8)20/h2-4,11,20H,5-6H2,1H3
InChIKeyPRYHLCCCTXHEFG-UHFFFAOYSA-N
XLogP2.06
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 121389408) is 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is Cn1nc(C(F)(F)F)cc1-c1cncc2c1COCC2O.
What is the InChIKey of 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is PRYHLCCCTXHEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-19-10(2-12(18-19)13(14,15)16)7-3-17-4-8-9(7)5-21-6-11(8)20/h2-4,11,20H,5-6H2,1H3.
What are the key properties of 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 299.25 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 121389408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).