methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate

C16H16N2O2 — CID 130346560

IUPACmethyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(C2=CCCC=C2)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h3,5-10H,2,4,11H2,1H3
InChIKeyZCBBQCPMFKSGKD-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.94
Rot. Bonds3

About methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate

methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate (PubChem CID 130346560) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate
PubChem CID130346560
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(C2=CCCC=C2)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h3,5-10H,2,4,11H2,1H3
InChIKeyZCBBQCPMFKSGKD-UHFFFAOYSA-N
XLogP2.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.94
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-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate?
The IUPAC name of methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate (CID 130346560) is methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate is COC(=O)Cn1nc(C2=CCCC=C2)c2ccccc21.
What is the InChIKey of methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate?
The InChIKey is ZCBBQCPMFKSGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h3,5-10H,2,4,11H2,1H3.
What are the key properties of methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate?
methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate has a molecular weight of 268.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclohexa-1,5-dien-1-ylindazol-1-yl)acetate is sourced from PubChem (CID 130346560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).