3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one

C8H5F3N2O2 — CID 23661464

IUPAC3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCc1[nH]nc2oc(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C8H5F3N2O2/c1-3-6-4(8(9,10)11)2-5(14)15-7(6)13-12-3/h2H,1H3,(H,12,13)
InChIKeyYNDXWDKLRKQLNV-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.84
Rot. Bonds

About 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one

3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one (PubChem CID 23661464) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one
PubChem CID23661464
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCc1[nH]nc2oc(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C8H5F3N2O2/c1-3-6-4(8(9,10)11)2-5(14)15-7(6)13-12-3/h2H,1H3,(H,12,13)
InChIKeyYNDXWDKLRKQLNV-UHFFFAOYSA-N
XLogP1.84
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one 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-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one (CID 23661464) is 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one is Cc1[nH]nc2oc(=O)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one?
The InChIKey is YNDXWDKLRKQLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c1-3-6-4(8(9,10)11)2-5(14)15-7(6)13-12-3/h2H,1H3,(H,12,13).
What are the key properties of 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one?
3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one has a molecular weight of 218.13 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-2H-pyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 23661464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).