1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone

C13H16N2O — CID 105469975

IUPAC1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone
SMILESCC(=O)c1cccc2c(CC(C)C)[nH]nc12
InChIInChI=1S/C13H16N2O/c1-8(2)7-12-11-6-4-5-10(9(3)16)13(11)15-14-12/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyNKUKJAHENJHKFO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.96
Rot. Bonds3

About 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone

1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone (PubChem CID 105469975) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone
PubChem CID105469975
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone
SMILESCC(=O)c1cccc2c(CC(C)C)[nH]nc12
InChIInChI=1S/C13H16N2O/c1-8(2)7-12-11-6-4-5-10(9(3)16)13(11)15-14-12/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyNKUKJAHENJHKFO-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone?
The IUPAC name of 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone (CID 105469975) is 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone is CC(=O)c1cccc2c(CC(C)C)[nH]nc12.
What is the InChIKey of 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone?
The InChIKey is NKUKJAHENJHKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8(2)7-12-11-6-4-5-10(9(3)16)13(11)15-14-12/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone?
1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)-2H-indazol-7-yl]ethanone is sourced from PubChem (CID 105469975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).