5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole

C11H16N2 — CID 134546507

IUPAC5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole
SMILESCC(C)CC1=CC2C=NNC2C=C1
InChIInChI=1S/C11H16N2/c1-8(2)5-9-3-4-11-10(6-9)7-12-13-11/h3-4,6-8,10-11,13H,5H2,1-2H3
InChIKeySOJMQNLUCDQTQO-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.10
Rot. Bonds2

About 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole

5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole (PubChem CID 134546507) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole
PubChem CID134546507
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole
SMILESCC(C)CC1=CC2C=NNC2C=C1
InChIInChI=1S/C11H16N2/c1-8(2)5-9-3-4-11-10(6-9)7-12-13-11/h3-4,6-8,10-11,13H,5H2,1-2H3
InChIKeySOJMQNLUCDQTQO-UHFFFAOYSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole?
The IUPAC name of 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole (CID 134546507) is 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole.
What is the SMILES notation for 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole?
The canonical SMILES for 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole is CC(C)CC1=CC2C=NNC2C=C1.
What is the InChIKey of 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole?
The InChIKey is SOJMQNLUCDQTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)5-9-3-4-11-10(6-9)7-12-13-11/h3-4,6-8,10-11,13H,5H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole?
5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole has a molecular weight of 176.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3a,7a-dihydro-1H-indazole is sourced from PubChem (CID 134546507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).