4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole

C11H18N2 — CID 174351058

IUPAC4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCCC1CCc2[nH]ncc2C1CC
InChIInChI=1S/C11H18N2/c1-3-8-5-6-11-10(7-12-13-11)9(8)4-2/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyORCKRXFWMJVFIU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.88
Rot. Bonds2

About 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole

4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 174351058) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID174351058
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCCC1CCc2[nH]ncc2C1CC
InChIInChI=1S/C11H18N2/c1-3-8-5-6-11-10(7-12-13-11)9(8)4-2/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyORCKRXFWMJVFIU-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole (CID 174351058) is 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole is CCC1CCc2[nH]ncc2C1CC.
What is the InChIKey of 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is ORCKRXFWMJVFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-8-5-6-11-10(7-12-13-11)9(8)4-2/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole?
4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 178.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 174351058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).