1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole

C9H11F3N2S — CID 90162760

IUPAC1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CSC2
InChIInChI=1S/C9H11F3N2S/c1-5(2)14-7-4-15-3-6(7)8(13-14)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyYSJICRXBYKTMEX-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.23
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole

1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole (PubChem CID 90162760) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole
PubChem CID90162760
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CSC2
InChIInChI=1S/C9H11F3N2S/c1-5(2)14-7-4-15-3-6(7)8(13-14)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyYSJICRXBYKTMEX-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-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

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole (CID 90162760) is 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole is CC(C)n1nc(C(F)(F)F)c2c1CSC2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole?
The InChIKey is YSJICRXBYKTMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c1-5(2)14-7-4-15-3-6(7)8(13-14)9(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole?
1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole has a molecular weight of 236.26 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole is sourced from PubChem (CID 90162760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).