3,5-di(propan-2-yl)-2H-indazole

C13H18N2 — CID 58499067

IUPAC3,5-di(propan-2-yl)-2H-indazole
SMILESCC(C)c1ccc2n[nH]c(C(C)C)c2c1
InChIInChI=1S/C13H18N2/c1-8(2)10-5-6-12-11(7-10)13(9(3)4)15-14-12/h5-9H,1-4H3,(H,14,15)
InChIKeyNCLFNXOXULUWBH-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.81
Rot. Bonds2

About 3,5-di(propan-2-yl)-2H-indazole

3,5-di(propan-2-yl)-2H-indazole (PubChem CID 58499067) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-2H-indazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-2H-indazole
PubChem CID58499067
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3,5-di(propan-2-yl)-2H-indazole
SMILESCC(C)c1ccc2n[nH]c(C(C)C)c2c1
InChIInChI=1S/C13H18N2/c1-8(2)10-5-6-12-11(7-10)13(9(3)4)15-14-12/h5-9H,1-4H3,(H,14,15)
InChIKeyNCLFNXOXULUWBH-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-2H-indazole?
The IUPAC name of 3,5-di(propan-2-yl)-2H-indazole (CID 58499067) is 3,5-di(propan-2-yl)-2H-indazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-2H-indazole?
The canonical SMILES for 3,5-di(propan-2-yl)-2H-indazole is CC(C)c1ccc2n[nH]c(C(C)C)c2c1.
What is the InChIKey of 3,5-di(propan-2-yl)-2H-indazole?
The InChIKey is NCLFNXOXULUWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)10-5-6-12-11(7-10)13(9(3)4)15-14-12/h5-9H,1-4H3,(H,14,15).
What are the key properties of 3,5-di(propan-2-yl)-2H-indazole?
3,5-di(propan-2-yl)-2H-indazole has a molecular weight of 202.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-2H-indazole is sourced from PubChem (CID 58499067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).