methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate

C11H14N2O3 — CID 146240387

IUPACmethyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate
SMILESCOC(=O)CCn1cc2c(n1)CC(=O)CC2
InChIInChI=1S/C11H14N2O3/c1-16-11(15)4-5-13-7-8-2-3-9(14)6-10(8)12-13/h7H,2-6H2,1H3
InChIKeyKVALUPJJETUNDC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.50
Rot. Bonds3

About methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate

methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate (PubChem CID 146240387) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate
PubChem CID146240387
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate
SMILESCOC(=O)CCn1cc2c(n1)CC(=O)CC2
InChIInChI=1S/C11H14N2O3/c1-16-11(15)4-5-13-7-8-2-3-9(14)6-10(8)12-13/h7H,2-6H2,1H3
InChIKeyKVALUPJJETUNDC-UHFFFAOYSA-N
XLogP0.50
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetic acid
CID 3235997
4,5,6,7-Tetrahydro-1H-indazole-1-propanoic acid
CID 16765314
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 19371779
2-Methyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 24853638
1-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxylic acid
CID 83414589
2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylic acid
CID 83875405
methyl 2-methyl-4,5,6,7-tetrahydro-2H-indazole-7-carboxylate
CID 167723772
1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-one hydrochloride
CID 167742135
1-Methyl-4,5-dihydro-1H-indazol-6(7H)-one
CID 55263567
2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-indazol-5-one
CID 140151288
1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-indazol-5-one
CID 140151293

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate?
The IUPAC name of methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate (CID 146240387) is methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate.
What is the SMILES notation for methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate?
The canonical SMILES for methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate is COC(=O)CCn1cc2c(n1)CC(=O)CC2.
What is the InChIKey of methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate?
The InChIKey is KVALUPJJETUNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11(15)4-5-13-7-8-2-3-9(14)6-10(8)12-13/h7H,2-6H2,1H3.
What are the key properties of methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate?
methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate has a molecular weight of 222.24 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-oxo-5,7-dihydro-4H-indazol-2-yl)propanoate is sourced from PubChem (CID 146240387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).