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

C14H9F3N2O2 — CID 2799858

IUPAC3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2oc(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C14H9F3N2O2/c1-8-12-10(14(15,16)17)7-11(20)21-13(12)19(18-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyTZZNZYQFRGOGDT-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.31
Rot. Bonds1

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

3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one (PubChem CID 2799858) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
PubChem CID2799858
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2oc(=O)cc(C(F)(F)F)c12
InChIInChI=1S/C14H9F3N2O2/c1-8-12-10(14(15,16)17)7-11(20)21-13(12)19(18-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyTZZNZYQFRGOGDT-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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Related Compounds

1-(3-Chlorophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
CID 354609
phenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 2740672
1-(4-Bromophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
CID 555905
1-(4-chlorophenyl)-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one
CID 696875
4-Methyl-1-phenyl-3-(trifluoromethyl)-1,6-dihydropyrano[2,3-c]pyrazol-6-one
CID 2799865
ethyl 3,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxylate
CID 23646848
5-Ethyl-3,4-dimethyl-1-phenylpyrano[2,3-c]pyrazol-6-one
CID 700657
Ethyl (3,4-dimethyl-6-oxo-1-phenyl-1,6-dihydropyrano[2,3-c]pyrazol-5-yl)acetate
CID 674767
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-fluorobenzoate
CID 7202265
3-Methyl-1-phenyl-1H-pyrazol-5-yl benzoate
CID 569570
3,4-dimethyl-1-(3-methylphenyl)pyrano[2,3-c]pyrazol-6(1H)-one
CID 1264987
1-(3-Chlorophenyl)-3-methyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one
CID 2799856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one (CID 2799858) is 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2oc(=O)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one?
The InChIKey is TZZNZYQFRGOGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c1-8-12-10(14(15,16)17)7-11(20)21-13(12)19(18-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one?
3-methyl-1-phenyl-4-(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 3-methyl-1-phenyl-4-(trifluoromethyl)pyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 2799858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).