7-ethyl-1-methyl-3a,7a-dihydroindazole

C10H14N2 — CID 168895736

IUPAC7-ethyl-1-methyl-3a,7a-dihydroindazole
SMILESCCC1=CC=CC2C=NN(C)C12
InChIInChI=1S/C10H14N2/c1-3-8-5-4-6-9-7-11-12(2)10(8)9/h4-7,9-10H,3H2,1-2H3
InChIKeyDPSWVSDSOXUVGC-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.81
Rot. Bonds1

About 7-ethyl-1-methyl-3a,7a-dihydroindazole

7-ethyl-1-methyl-3a,7a-dihydroindazole (PubChem CID 168895736) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 7-ethyl-1-methyl-3a,7a-dihydroindazole.

Molecular Properties

Compound Name7-ethyl-1-methyl-3a,7a-dihydroindazole
PubChem CID168895736
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name7-ethyl-1-methyl-3a,7a-dihydroindazole
SMILESCCC1=CC=CC2C=NN(C)C12
InChIInChI=1S/C10H14N2/c1-3-8-5-4-6-9-7-11-12(2)10(8)9/h4-7,9-10H,3H2,1-2H3
InChIKeyDPSWVSDSOXUVGC-UHFFFAOYSA-N
XLogP1.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-methyl-3a,7a-dihydroindazole?
The IUPAC name of 7-ethyl-1-methyl-3a,7a-dihydroindazole (CID 168895736) is 7-ethyl-1-methyl-3a,7a-dihydroindazole.
What is the SMILES notation for 7-ethyl-1-methyl-3a,7a-dihydroindazole?
The canonical SMILES for 7-ethyl-1-methyl-3a,7a-dihydroindazole is CCC1=CC=CC2C=NN(C)C12.
What is the InChIKey of 7-ethyl-1-methyl-3a,7a-dihydroindazole?
The InChIKey is DPSWVSDSOXUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-8-5-4-6-9-7-11-12(2)10(8)9/h4-7,9-10H,3H2,1-2H3.
What are the key properties of 7-ethyl-1-methyl-3a,7a-dihydroindazole?
7-ethyl-1-methyl-3a,7a-dihydroindazole has a molecular weight of 162.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-methyl-3a,7a-dihydroindazole is sourced from PubChem (CID 168895736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).