1-methyl-3-propan-2-ylindazole

C11H14N2 — CID 58866252

IUPAC1-methyl-3-propan-2-ylindazole
SMILESCC(C)c1nn(C)c2ccccc12
InChIInChI=1S/C11H14N2/c1-8(2)11-9-6-4-5-7-10(9)13(3)12-11/h4-8H,1-3H3
InChIKeyMESPDADZCZXVNL-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.70
Rot. Bonds1

About 1-methyl-3-propan-2-ylindazole

1-methyl-3-propan-2-ylindazole (PubChem CID 58866252) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-methyl-3-propan-2-ylindazole.

Molecular Properties

Compound Name1-methyl-3-propan-2-ylindazole
PubChem CID58866252
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name1-methyl-3-propan-2-ylindazole
SMILESCC(C)c1nn(C)c2ccccc12
InChIInChI=1S/C11H14N2/c1-8(2)11-9-6-4-5-7-10(9)13(3)12-11/h4-8H,1-3H3
InChIKeyMESPDADZCZXVNL-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-ylindazole?
The IUPAC name of 1-methyl-3-propan-2-ylindazole (CID 58866252) is 1-methyl-3-propan-2-ylindazole.
What is the SMILES notation for 1-methyl-3-propan-2-ylindazole?
The canonical SMILES for 1-methyl-3-propan-2-ylindazole is CC(C)c1nn(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-propan-2-ylindazole?
The InChIKey is MESPDADZCZXVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)11-9-6-4-5-7-10(9)13(3)12-11/h4-8H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-ylindazole?
1-methyl-3-propan-2-ylindazole has a molecular weight of 174.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-ylindazole is sourced from PubChem (CID 58866252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).