4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one

C14H9F3N2O2 — CID 2799865

IUPAC4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
SMILESCc1cc(=O)oc2c1c(C(F)(F)F)nn2-c1ccccc1
InChIInChI=1S/C14H9F3N2O2/c1-8-7-10(20)21-13-11(8)12(14(15,16)17)18-19(13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyPJCOVHFYAIBIBN-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.31
Rot. Bonds1

About 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one

4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one (PubChem CID 2799865) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
PubChem CID2799865
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
SMILESCc1cc(=O)oc2c1c(C(F)(F)F)nn2-c1ccccc1
InChIInChI=1S/C14H9F3N2O2/c1-8-7-10(20)21-13-11(8)12(14(15,16)17)18-19(13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyPJCOVHFYAIBIBN-UHFFFAOYSA-N
XLogP3.31
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one (CID 2799865) is 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one is Cc1cc(=O)oc2c1c(C(F)(F)F)nn2-c1ccccc1.
What is the InChIKey of 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one?
The InChIKey is PJCOVHFYAIBIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-8-7-10(20)21-13-11(8)12(14(15,16)17)18-19(13)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one?
4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one has a molecular weight of 294.23 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-3-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 2799865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).