7-(2-methylpropyl)-1H-indazole

C11H14N2 — CID 167194868

IUPAC7-(2-methylpropyl)-1H-indazole
SMILESCC(C)Cc1cccc2cn[nH]c12
InChIInChI=1S/C11H14N2/c1-8(2)6-9-4-3-5-10-7-12-13-11(9)10/h3-5,7-8H,6H2,1-2H3,(H,12,13)
InChIKeyLJRWVXMKFOMCOO-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.76
Rot. Bonds2

About 7-(2-methylpropyl)-1H-indazole

7-(2-methylpropyl)-1H-indazole (PubChem CID 167194868) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7-(2-methylpropyl)-1H-indazole.

Molecular Properties

Compound Name7-(2-methylpropyl)-1H-indazole
PubChem CID167194868
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7-(2-methylpropyl)-1H-indazole
SMILESCC(C)Cc1cccc2cn[nH]c12
InChIInChI=1S/C11H14N2/c1-8(2)6-9-4-3-5-10-7-12-13-11(9)10/h3-5,7-8H,6H2,1-2H3,(H,12,13)
InChIKeyLJRWVXMKFOMCOO-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-1H-indazole?
The IUPAC name of 7-(2-methylpropyl)-1H-indazole (CID 167194868) is 7-(2-methylpropyl)-1H-indazole.
What is the SMILES notation for 7-(2-methylpropyl)-1H-indazole?
The canonical SMILES for 7-(2-methylpropyl)-1H-indazole is CC(C)Cc1cccc2cn[nH]c12.
What is the InChIKey of 7-(2-methylpropyl)-1H-indazole?
The InChIKey is LJRWVXMKFOMCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)6-9-4-3-5-10-7-12-13-11(9)10/h3-5,7-8H,6H2,1-2H3,(H,12,13).
What are the key properties of 7-(2-methylpropyl)-1H-indazole?
7-(2-methylpropyl)-1H-indazole has a molecular weight of 174.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-1H-indazole is sourced from PubChem (CID 167194868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).