3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole

C7H7F3N2O — CID 50992798

IUPAC3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole
SMILESFC(F)(F)c1n[nH]c2c1CCOC2
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-4-1-2-13-3-5(4)11-12-6/h1-3H2,(H,11,12)
InChIKeyAGJBKVPDGFHFLU-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.50
Rot. Bonds

About 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole

3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole (PubChem CID 50992798) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole
PubChem CID50992798
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole
SMILESFC(F)(F)c1n[nH]c2c1CCOC2
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-4-1-2-13-3-5(4)11-12-6/h1-3H2,(H,11,12)
InChIKeyAGJBKVPDGFHFLU-UHFFFAOYSA-N
XLogP1.50
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]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-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole?
The IUPAC name of 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole (CID 50992798) is 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole.
What is the SMILES notation for 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole?
The canonical SMILES for 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole is FC(F)(F)c1n[nH]c2c1CCOC2.
What is the InChIKey of 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole?
The InChIKey is AGJBKVPDGFHFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6-4-1-2-13-3-5(4)11-12-6/h1-3H2,(H,11,12).
What are the key properties of 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole?
3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole has a molecular weight of 192.14 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole is sourced from PubChem (CID 50992798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).