methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate

C17H16N2O2 — CID 46856255

IUPACmethyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C17H16N2O2/c1-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)19(18-17)11-16(20)21-2/h3-10H,11H2,1-2H3
InChIKeyAKDDGYCBFXYISW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.18
Rot. Bonds3

About methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate

methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate (PubChem CID 46856255) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate
PubChem CID46856255
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C17H16N2O2/c1-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)19(18-17)11-16(20)21-2/h3-10H,11H2,1-2H3
InChIKeyAKDDGYCBFXYISW-UHFFFAOYSA-N
XLogP3.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Inz-1
CID 3243873
Methyl 2-[3-(2,5-difluorophenyl)indazol-1-yl]acetate
CID 73506262
Methyl 2-[3-[2-fluoro-5-(trifluoromethyl)phenyl]indazol-1-yl]acetate
CID 73507132
CID 73507351
CID 73507351
(3,5-Diphenyl-pyrazol-1-yl)-acetic acid
CID 824607
(3-methyl-1H-indazol-1-yl)acetic acid
CID 3237757
2-(2H-indazol-2-yl)acetic acid
CID 12252435
1-[3-(3-Fluorophenyl)indazol-1-yl]-3,3-dimethylbutan-2-one
CID 56840674
Methyl 2-(3-(3-fluorophenyl)-1H-indazol-1-yl)acetate
CID 49835858
Methyl 2-[3-(2-fluorophenyl)indazol-1-yl]acetate
CID 73505836
Methyl 2-[3-(2,6-difluorophenyl)indazol-1-yl]acetate
CID 73506475
Methyl 2-[3-(5-fluoro-2-methylphenyl)indazol-1-yl]acetate
CID 73506476

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate (CID 46856255) is methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate is COC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate?
The InChIKey is AKDDGYCBFXYISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)19(18-17)11-16(20)21-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate?
methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate has a molecular weight of 280.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methylphenyl)indazol-1-yl]acetate is sourced from PubChem (CID 46856255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).