1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C12H13F3N4 — CID 138020388

IUPAC1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCn1nccc1-n1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C12H13F3N4/c1-18-10(6-7-16-18)19-9-5-3-2-4-8(9)11(17-19)12(13,14)15/h6-7H,2-5H2,1H3
InChIKeyQLOQWWQCGDBDHH-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.50
Rot. Bonds1

About 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 138020388) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID138020388
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCn1nccc1-n1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C12H13F3N4/c1-18-10(6-7-16-18)19-9-5-3-2-4-8(9)11(17-19)12(13,14)15/h6-7H,2-5H2,1H3
InChIKeyQLOQWWQCGDBDHH-UHFFFAOYSA-N
XLogP2.50
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 138020388) is 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is Cn1nccc1-n1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is QLOQWWQCGDBDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-18-10(6-7-16-18)19-9-5-3-2-4-8(9)11(17-19)12(13,14)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 270.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 138020388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).