4-methoxy-1,5-dimethylindazole

C10H12N2O — CID 170279766

IUPAC4-methoxy-1,5-dimethylindazole
SMILESCOc1c(C)ccc2c1cnn2C
InChIInChI=1S/C10H12N2O/c1-7-4-5-9-8(10(7)13-3)6-11-12(9)2/h4-6H,1-3H3
InChIKeyDVSHNLZMANPBRS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.89
Rot. Bonds1

About 4-methoxy-1,5-dimethylindazole

4-methoxy-1,5-dimethylindazole (PubChem CID 170279766) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-methoxy-1,5-dimethylindazole.

Molecular Properties

Compound Name4-methoxy-1,5-dimethylindazole
PubChem CID170279766
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-methoxy-1,5-dimethylindazole
SMILESCOc1c(C)ccc2c1cnn2C
InChIInChI=1S/C10H12N2O/c1-7-4-5-9-8(10(7)13-3)6-11-12(9)2/h4-6H,1-3H3
InChIKeyDVSHNLZMANPBRS-UHFFFAOYSA-N
XLogP1.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,5-dimethylindazole?
The IUPAC name of 4-methoxy-1,5-dimethylindazole (CID 170279766) is 4-methoxy-1,5-dimethylindazole.
What is the SMILES notation for 4-methoxy-1,5-dimethylindazole?
The canonical SMILES for 4-methoxy-1,5-dimethylindazole is COc1c(C)ccc2c1cnn2C.
What is the InChIKey of 4-methoxy-1,5-dimethylindazole?
The InChIKey is DVSHNLZMANPBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-4-5-9-8(10(7)13-3)6-11-12(9)2/h4-6H,1-3H3.
What are the key properties of 4-methoxy-1,5-dimethylindazole?
4-methoxy-1,5-dimethylindazole has a molecular weight of 176.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,5-dimethylindazole is sourced from PubChem (CID 170279766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).