2-propan-2-yl-1,7a-dihydroindazole

C10H14N2 — CID 122468716

IUPAC2-propan-2-yl-1,7a-dihydroindazole
SMILESCC(C)N1C=C2C=CC=CC2N1
InChIInChI=1S/C10H14N2/c1-8(2)12-7-9-5-3-4-6-10(9)11-12/h3-8,10-11H,1-2H3
InChIKeyXXXWFDGYZJLGCY-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.59
Rot. Bonds1

About 2-propan-2-yl-1,7a-dihydroindazole

2-propan-2-yl-1,7a-dihydroindazole (PubChem CID 122468716) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-propan-2-yl-1,7a-dihydroindazole.

Molecular Properties

Compound Name2-propan-2-yl-1,7a-dihydroindazole
PubChem CID122468716
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-propan-2-yl-1,7a-dihydroindazole
SMILESCC(C)N1C=C2C=CC=CC2N1
InChIInChI=1S/C10H14N2/c1-8(2)12-7-9-5-3-4-6-10(9)11-12/h3-8,10-11H,1-2H3
InChIKeyXXXWFDGYZJLGCY-UHFFFAOYSA-N
XLogP1.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,7a-dihydroindazole?
The IUPAC name of 2-propan-2-yl-1,7a-dihydroindazole (CID 122468716) is 2-propan-2-yl-1,7a-dihydroindazole.
What is the SMILES notation for 2-propan-2-yl-1,7a-dihydroindazole?
The canonical SMILES for 2-propan-2-yl-1,7a-dihydroindazole is CC(C)N1C=C2C=CC=CC2N1.
What is the InChIKey of 2-propan-2-yl-1,7a-dihydroindazole?
The InChIKey is XXXWFDGYZJLGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8(2)12-7-9-5-3-4-6-10(9)11-12/h3-8,10-11H,1-2H3.
What are the key properties of 2-propan-2-yl-1,7a-dihydroindazole?
2-propan-2-yl-1,7a-dihydroindazole has a molecular weight of 162.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,7a-dihydroindazole is sourced from PubChem (CID 122468716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).