2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole

C7H7F3N2S — CID 90167799

IUPAC2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESCn1nc2c(c1C(F)(F)F)CSC2
InChIInChI=1S/C7H7F3N2S/c1-12-6(7(8,9)10)4-2-13-3-5(4)11-12/h2-3H2,1H3
InChIKeyKFOWNJMDSLURPK-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.19
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole

2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole (PubChem CID 90167799) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole
PubChem CID90167799
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole
SMILESCn1nc2c(c1C(F)(F)F)CSC2
InChIInChI=1S/C7H7F3N2S/c1-12-6(7(8,9)10)4-2-13-3-5(4)11-12/h2-3H2,1H3
InChIKeyKFOWNJMDSLURPK-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 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole (CID 90167799) is 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole is Cn1nc2c(c1C(F)(F)F)CSC2.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole?
The InChIKey is KFOWNJMDSLURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-12-6(7(8,9)10)4-2-13-3-5(4)11-12/h2-3H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole?
2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]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 2-methyl-3-(trifluoromethyl)-4,6-dihydrothieno[3,4-c]pyrazole is sourced from PubChem (CID 90167799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).