ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate

C9H10N2O3 — CID 131456675

IUPACethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1C(=O)CC2
InChIInChI=1S/C9H10N2O3/c1-2-14-9(13)8-7-5(10-11-8)3-4-6(7)12/h2-4H2,1H3,(H,10,11)
InChIKeyGUAOYAKNGHWMGS-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.72
Rot. Bonds2

About ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate

ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate (PubChem CID 131456675) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate
PubChem CID131456675
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Nameethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2c1C(=O)CC2
InChIInChI=1S/C9H10N2O3/c1-2-14-9(13)8-7-5(10-11-8)3-4-6(7)12/h2-4H2,1H3,(H,10,11)
InChIKeyGUAOYAKNGHWMGS-UHFFFAOYSA-N
XLogP0.72
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-oxo-1,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
CID 141380718
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 23005640
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
ethyl (6R)-6-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate;hydrochloride
CID 163409902
ethyl (2S,4R)-3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylate
CID 70966341
ethyl 3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylate
CID 69059429
ethyl 8-methyl-4,5-diazatricyclo[6.1.1.02,6]deca-2(6),3-diene-3-carboxylate
CID 167119327
ethyl (6S)-6-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylate
CID 26599216
ethyl 4-amino-5-bromo-1H-pyrazole-3-carboxylate
CID 75525002
ethyl 5-(ethoxymethyl)-4-ethyl-1H-pyrazole-3-carboxylate
CID 123927688
ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate (CID 131456675) is ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate is CCOC(=O)c1n[nH]c2c1C(=O)CC2.
What is the InChIKey of ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate?
The InChIKey is GUAOYAKNGHWMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-14-9(13)8-7-5(10-11-8)3-4-6(7)12/h2-4H2,1H3,(H,10,11).
What are the key properties of ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate?
ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate has a molecular weight of 194.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5,6-dihydro-1H-cyclopenta[c]pyrazole-3-carboxylate is sourced from PubChem (CID 131456675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).