methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate

C11H12N2O3 — CID 175877986

IUPACmethyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c2c1CCCC2=C=O
InChIInChI=1S/C11H12N2O3/c1-13-10-7(6-14)4-3-5-8(10)9(12-13)11(15)16-2/h3-5H2,1-2H3
InChIKeySGMOXQAUKVWUFM-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.76
Rot. Bonds1

About methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate

methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate (PubChem CID 175877986) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate
PubChem CID175877986
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c2c1CCCC2=C=O
InChIInChI=1S/C11H12N2O3/c1-13-10-7(6-14)4-3-5-8(10)9(12-13)11(15)16-2/h3-5H2,1-2H3
InChIKeySGMOXQAUKVWUFM-UHFFFAOYSA-N
XLogP0.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
N,3,11,12,13,14-hexamethyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-5-carboxamide
CID 59450164
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
methyl 6-(dimethylaminomethylidene)-1-ethyl-7-oxo-4,5-dihydroindazole-3-carboxylate
CID 141497739
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
(7E)-7-hydroxyimino-N,N,1-trimethyl-5,6-dihydro-4H-indazole-3-carboxamide
CID 175977799
methyl 1,5-dimethyl-4-sulfamoylpyrazole-3-carboxylate
CID 13342775
methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581846
methyl 5-amino-1-methyl-4-(oxan-2-yl)pyrazole-3-carboxylate
CID 165485565
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
CID 95748425
methyl 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 166312217
methyl 6-(2,6-dimethoxybenzoyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84579484

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate (CID 175877986) is methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate is COC(=O)c1nn(C)c2c1CCCC2=C=O.
What is the InChIKey of methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate?
The InChIKey is SGMOXQAUKVWUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13-10-7(6-14)4-3-5-8(10)9(12-13)11(15)16-2/h3-5H2,1-2H3.
What are the key properties of methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate?
methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-7-(oxomethylidene)-5,6-dihydro-4H-indazole-3-carboxylate is sourced from PubChem (CID 175877986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).