3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C7H8F2N2O — CID 130133316

IUPAC3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESFC(F)c1n[nH]c2c1COCC2
InChIInChI=1S/C7H8F2N2O/c8-7(9)6-4-3-12-2-1-5(4)10-11-6/h7H,1-3H2,(H,10,11)
InChIKeyGKONZIOQNLCRGM-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.42
Rot. Bonds1

About 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 130133316) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID130133316
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESFC(F)c1n[nH]c2c1COCC2
InChIInChI=1S/C7H8F2N2O/c8-7(9)6-4-3-12-2-1-5(4)10-11-6/h7H,1-3H2,(H,10,11)
InChIKeyGKONZIOQNLCRGM-UHFFFAOYSA-N
XLogP1.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 130133316) is 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is FC(F)c1n[nH]c2c1COCC2.
What is the InChIKey of 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is GKONZIOQNLCRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)6-4-3-12-2-1-5(4)10-11-6/h7H,1-3H2,(H,10,11).
What are the key properties of 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 174.15 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 130133316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).