5-methoxy-1,3-dimethylindazole

C10H12N2O — CID 58817520

IUPAC5-methoxy-1,3-dimethylindazole
SMILESCOc1ccc2c(c1)c(C)nn2C
InChIInChI=1S/C10H12N2O/c1-7-9-6-8(13-3)4-5-10(9)12(2)11-7/h4-6H,1-3H3
InChIKeyPABOHEZRUBZZSZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.89
Rot. Bonds1

About 5-methoxy-1,3-dimethylindazole

5-methoxy-1,3-dimethylindazole (PubChem CID 58817520) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethylindazole.

Molecular Properties

Compound Name5-methoxy-1,3-dimethylindazole
PubChem CID58817520
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-methoxy-1,3-dimethylindazole
SMILESCOc1ccc2c(c1)c(C)nn2C
InChIInChI=1S/C10H12N2O/c1-7-9-6-8(13-3)4-5-10(9)12(2)11-7/h4-6H,1-3H3
InChIKeyPABOHEZRUBZZSZ-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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Related Compounds

Benzydamine
CID 12555
Benzydamine Hydrochloride
CID 65464
2-[3-(3-Methoxyphenyl)-1-indazolyl]acetic acid methyl ester
CID 49835877
3-ethyl-2-(4-hydroxyphenyl)-2H-indazol-5-ol
CID 11149479
Methyl 2-[3-(3-ethoxyphenyl)indazol-1-yl]acetate
CID 73505630
Methyl 2-[3-(3-phenoxyphenyl)indazol-1-yl]acetate
CID 73505832
Methyl 2-[3-[3-(2-phenylethoxy)phenyl]indazol-1-yl]acetate
CID 73506046
Methyl 2-[3-[3-(2-methylpropoxy)phenyl]indazol-1-yl]acetate
CID 73506048
Methyl 2-[3-[3-(3-methylbutoxy)phenyl]indazol-1-yl]acetate
CID 73506261
Methyl 2-[3-[3-(3,3-dimethylbutoxy)phenyl]indazol-1-yl]acetate
CID 73507127
(5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10731528
3,4-dihydro-2H-[1,3]oxazino[3,2-b]indazole
CID 13664293

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dimethylindazole?
The IUPAC name of 5-methoxy-1,3-dimethylindazole (CID 58817520) is 5-methoxy-1,3-dimethylindazole.
What is the SMILES notation for 5-methoxy-1,3-dimethylindazole?
The canonical SMILES for 5-methoxy-1,3-dimethylindazole is COc1ccc2c(c1)c(C)nn2C.
What is the InChIKey of 5-methoxy-1,3-dimethylindazole?
The InChIKey is PABOHEZRUBZZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-9-6-8(13-3)4-5-10(9)12(2)11-7/h4-6H,1-3H3.
What are the key properties of 5-methoxy-1,3-dimethylindazole?
5-methoxy-1,3-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 5-methoxy-1,3-dimethylindazole is sourced from PubChem (CID 58817520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).