3-ethyl-4-methoxy-2H-indazole

C10H12N2O — CID 76846083

IUPAC3-ethyl-4-methoxy-2H-indazole
SMILESCCc1[nH]nc2cccc(OC)c12
InChIInChI=1S/C10H12N2O/c1-3-7-10-8(12-11-7)5-4-6-9(10)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyBDVCACSVHJCMBT-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.13
Rot. Bonds2

About 3-ethyl-4-methoxy-2H-indazole

3-ethyl-4-methoxy-2H-indazole (PubChem CID 76846083) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-2H-indazole.

Molecular Properties

Compound Name3-ethyl-4-methoxy-2H-indazole
PubChem CID76846083
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-ethyl-4-methoxy-2H-indazole
SMILESCCc1[nH]nc2cccc(OC)c12
InChIInChI=1S/C10H12N2O/c1-3-7-10-8(12-11-7)5-4-6-9(10)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyBDVCACSVHJCMBT-UHFFFAOYSA-N
XLogP2.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-2H-indazole?
The IUPAC name of 3-ethyl-4-methoxy-2H-indazole (CID 76846083) is 3-ethyl-4-methoxy-2H-indazole.
What is the SMILES notation for 3-ethyl-4-methoxy-2H-indazole?
The canonical SMILES for 3-ethyl-4-methoxy-2H-indazole is CCc1[nH]nc2cccc(OC)c12.
What is the InChIKey of 3-ethyl-4-methoxy-2H-indazole?
The InChIKey is BDVCACSVHJCMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-7-10-8(12-11-7)5-4-6-9(10)13-2/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 3-ethyl-4-methoxy-2H-indazole?
3-ethyl-4-methoxy-2H-indazole has a molecular weight of 176.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-2H-indazole is sourced from PubChem (CID 76846083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).