ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole

C13H24N2 — CID 142607873

IUPACethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole
SMILESCC.CCn1ncc2c1C(C)CC(C)C2
InChIInChI=1S/C11H18N2.C2H6/c1-4-13-11-9(3)5-8(2)6-10(11)7-12-13;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyOFHJFVKIKHEISO-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.62
Rot. Bonds1

About ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole

ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole (PubChem CID 142607873) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Nameethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole
PubChem CID142607873
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole
SMILESCC.CCn1ncc2c1C(C)CC(C)C2
InChIInChI=1S/C11H18N2.C2H6/c1-4-13-11-9(3)5-8(2)6-10(11)7-12-13;1-2/h7-9H,4-6H2,1-3H3;1-2H3
InChIKeyOFHJFVKIKHEISO-UHFFFAOYSA-N
XLogP3.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole?
The IUPAC name of ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole (CID 142607873) is ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole is CC.CCn1ncc2c1C(C)CC(C)C2.
What is the InChIKey of ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole?
The InChIKey is OFHJFVKIKHEISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-4-13-11-9(3)5-8(2)6-10(11)7-12-13;1-2/h7-9H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole?
ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole has a molecular weight of 208.35 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-5,7-dimethyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 142607873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).