1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C10H13F3N2 — CID 90167823

IUPAC1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC1CCCc2c1c(C(F)(F)F)nn2C
InChIInChI=1S/C10H13F3N2/c1-6-4-3-5-7-8(6)9(10(11,12)13)14-15(7)2/h6H,3-5H2,1-2H3
InChIKeyBFEYVEXWQPQNDM-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.88
Rot. Bonds

About 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 90167823) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID90167823
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC1CCCc2c1c(C(F)(F)F)nn2C
InChIInChI=1S/C10H13F3N2/c1-6-4-3-5-7-8(6)9(10(11,12)13)14-15(7)2/h6H,3-5H2,1-2H3
InChIKeyBFEYVEXWQPQNDM-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 90167823) is 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CC1CCCc2c1c(C(F)(F)F)nn2C.
What is the InChIKey of 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is BFEYVEXWQPQNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-6-4-3-5-7-8(6)9(10(11,12)13)14-15(7)2/h6H,3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 218.22 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 90167823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).