3-ethyl-1-methylindazol-4-ol

C10H12N2O — CID 136743904

IUPAC3-ethyl-1-methylindazol-4-ol
SMILESCCc1nn(C)c2cccc(O)c12
InChIInChI=1S/C10H12N2O/c1-3-7-10-8(12(2)11-7)5-4-6-9(10)13/h4-6,13H,3H2,1-2H3
InChIKeyVPGRPVCWAMVXMB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.84
Rot. Bonds1

About 3-ethyl-1-methylindazol-4-ol

3-ethyl-1-methylindazol-4-ol (PubChem CID 136743904) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethyl-1-methylindazol-4-ol.

Molecular Properties

Compound Name3-ethyl-1-methylindazol-4-ol
PubChem CID136743904
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-ethyl-1-methylindazol-4-ol
SMILESCCc1nn(C)c2cccc(O)c12
InChIInChI=1S/C10H12N2O/c1-3-7-10-8(12(2)11-7)5-4-6-9(10)13/h4-6,13H,3H2,1-2H3
InChIKeyVPGRPVCWAMVXMB-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylindazol-4-ol?
The IUPAC name of 3-ethyl-1-methylindazol-4-ol (CID 136743904) is 3-ethyl-1-methylindazol-4-ol.
What is the SMILES notation for 3-ethyl-1-methylindazol-4-ol?
The canonical SMILES for 3-ethyl-1-methylindazol-4-ol is CCc1nn(C)c2cccc(O)c12.
What is the InChIKey of 3-ethyl-1-methylindazol-4-ol?
The InChIKey is VPGRPVCWAMVXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-7-10-8(12(2)11-7)5-4-6-9(10)13/h4-6,13H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methylindazol-4-ol?
3-ethyl-1-methylindazol-4-ol has a molecular weight of 176.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylindazol-4-ol is sourced from PubChem (CID 136743904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).