ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate

C10H14N2O3 — CID 66022560

IUPACethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c2c(c1=O)CCC2
InChIInChI=1S/C10H14N2O3/c1-2-15-9(13)6-12-10(14)7-4-3-5-8(7)11-12/h11H,2-6H2,1H3
InChIKeyZGAXHMSHGIRIGF-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.23
Rot. Bonds3

About ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate

ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate (PubChem CID 66022560) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate
PubChem CID66022560
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c2c(c1=O)CCC2
InChIInChI=1S/C10H14N2O3/c1-2-15-9(13)6-12-10(14)7-4-3-5-8(7)11-12/h11H,2-6H2,1H3
InChIKeyZGAXHMSHGIRIGF-UHFFFAOYSA-N
XLogP0.23
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate
CID 66022357
2-(2-Hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66020841
ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022356
Ethyl 2-(3-oxo-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl)acetate
CID 66022359
2-(3-Oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetic acid
CID 66023379
2-(Oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 130570222

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate (CID 66022560) is ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate is CCOC(=O)Cn1[nH]c2c(c1=O)CCC2.
What is the InChIKey of ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate?
The InChIKey is ZGAXHMSHGIRIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-9(13)6-12-10(14)7-4-3-5-8(7)11-12/h11H,2-6H2,1H3.
What are the key properties of ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate?
ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate has a molecular weight of 210.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate is sourced from PubChem (CID 66022560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).