1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

C8H9F3N2O — CID 71204337

IUPAC1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1COCC2
InChIInChI=1S/C8H9F3N2O/c1-13-6-4-14-3-2-5(6)7(12-13)8(9,10)11/h2-4H2,1H3
InChIKeyOKHVRZACWXZZSU-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.51
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 71204337) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID71204337
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1COCC2
InChIInChI=1S/C8H9F3N2O/c1-13-6-4-14-3-2-5(6)7(12-13)8(9,10)11/h2-4H2,1H3
InChIKeyOKHVRZACWXZZSU-UHFFFAOYSA-N
XLogP1.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 71204337) is 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is Cn1nc(C(F)(F)F)c2c1COCC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is OKHVRZACWXZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-13-6-4-14-3-2-5(6)7(12-13)8(9,10)11/h2-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 206.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 71204337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).