5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol

C10H16N2O — CID 129296486

IUPAC5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCCC1CCc2c(cnn2C)C1O
InChIInChI=1S/C10H16N2O/c1-3-7-4-5-9-8(10(7)13)6-11-12(9)2/h6-7,10,13H,3-5H2,1-2H3
InChIKeyIOVJCMXQBMQALV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.43
Rot. Bonds1

About 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol

5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 129296486) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID129296486
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCCC1CCc2c(cnn2C)C1O
InChIInChI=1S/C10H16N2O/c1-3-7-4-5-9-8(10(7)13)6-11-12(9)2/h6-7,10,13H,3-5H2,1-2H3
InChIKeyIOVJCMXQBMQALV-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol (CID 129296486) is 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol is CCC1CCc2c(cnn2C)C1O.
What is the InChIKey of 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is IOVJCMXQBMQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-7-4-5-9-8(10(7)13)6-11-12(9)2/h6-7,10,13H,3-5H2,1-2H3.
What are the key properties of 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol?
5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 180.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 129296486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).