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

C9H11F3N2O — CID 90168163

IUPAC1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCC1OCCc2c(C(F)(F)F)nn(C)c21
InChIInChI=1S/C9H11F3N2O/c1-5-7-6(3-4-15-5)8(9(10,11)12)13-14(7)2/h5H,3-4H2,1-2H3
InChIKeyPGTFYIUIAJIOEP-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.07
Rot. Bonds

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

1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 90168163) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID90168163
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCC1OCCc2c(C(F)(F)F)nn(C)c21
InChIInChI=1S/C9H11F3N2O/c1-5-7-6(3-4-15-5)8(9(10,11)12)13-14(7)2/h5H,3-4H2,1-2H3
InChIKeyPGTFYIUIAJIOEP-UHFFFAOYSA-N
XLogP2.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[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

Related Compounds

5-ethyl-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405713
2-[3-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanol
CID 97519885
{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methanol
CID 154814434
1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 71204337
1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 90162028
7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 90162029
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 90162053
3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 90162054
3-(1,1-Difluoroethyl)-1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole
CID 90162129
3-(Difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol
CID 90167577
1-Methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 90167816
1-tert-butyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 117635326

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 90168163) is 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is CC1OCCc2c(C(F)(F)F)nn(C)c21.
What is the InChIKey of 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is PGTFYIUIAJIOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-7-6(3-4-15-5)8(9(10,11)12)13-14(7)2/h5H,3-4H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 90168163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).