1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole

C9H9F3N2 — CID 90167796

IUPAC1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole
SMILESCn1nc(C(F)(F)F)c2c1CCC=C2
InChIInChI=1S/C9H9F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2,4H,3,5H2,1H3
InChIKeyOGWYRHQXRHPQLV-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.40
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole

1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole (PubChem CID 90167796) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole
PubChem CID90167796
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole
SMILESCn1nc(C(F)(F)F)c2c1CCC=C2
InChIInChI=1S/C9H9F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2,4H,3,5H2,1H3
InChIKeyOGWYRHQXRHPQLV-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole (CID 90167796) is 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole is Cn1nc(C(F)(F)F)c2c1CCC=C2.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole?
The InChIKey is OGWYRHQXRHPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-14-7-5-3-2-4-6(7)8(13-14)9(10,11)12/h2,4H,3,5H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole?
1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole has a molecular weight of 202.18 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-6,7-dihydroindazole is sourced from PubChem (CID 90167796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).