1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole

C7H7F3N2S — CID 90167679

IUPAC1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1CSC2
InChIInChI=1S/C7H7F3N2S/c1-12-5-3-13-2-4(5)6(11-12)7(8,9)10/h2-3H2,1H3
InChIKeyUXYRZODPGUYAID-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.19
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole

1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole (PubChem CID 90167679) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole
PubChem CID90167679
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole
SMILESCn1nc(C(F)(F)F)c2c1CSC2
InChIInChI=1S/C7H7F3N2S/c1-12-5-3-13-2-4(5)6(11-12)7(8,9)10/h2-3H2,1H3
InChIKeyUXYRZODPGUYAID-UHFFFAOYSA-N
XLogP2.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.19
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)-4,6-dihydrothieno[3,4-d]pyrazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole (CID 90167679) is 1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole is Cn1nc(C(F)(F)F)c2c1CSC2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole?
The InChIKey is UXYRZODPGUYAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-12-5-3-13-2-4(5)6(11-12)7(8,9)10/h2-3H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole?
1-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-d]pyrazole has a molecular weight of 208.21 g/mol, XLogP of 2.19, 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)-4,6-dihydrothieno[3,4-d]pyrazole is sourced from PubChem (CID 90167679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).