methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate

C10H12N2O3 — CID 157047787

IUPACmethyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C2CCC(=O)C2)c1
InChIInChI=1S/C10H12N2O3/c1-15-10(14)7-5-11-12(6-7)8-2-3-9(13)4-8/h5-6,8H,2-4H2,1H3
InChIKeyGODDUDFZEDCOIK-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.96
Rot. Bonds2

About methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate

methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate (PubChem CID 157047787) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate
PubChem CID157047787
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C2CCC(=O)C2)c1
InChIInChI=1S/C10H12N2O3/c1-15-10(14)7-5-11-12(6-7)8-2-3-9(13)4-8/h5-6,8H,2-4H2,1H3
InChIKeyGODDUDFZEDCOIK-UHFFFAOYSA-N
XLogP0.96
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate (CID 157047787) is methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate is COC(=O)c1cnn(C2CCC(=O)C2)c1.
What is the InChIKey of methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate?
The InChIKey is GODDUDFZEDCOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-10(14)7-5-11-12(6-7)8-2-3-9(13)4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate?
methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-oxocyclopentyl)pyrazole-4-carboxylate is sourced from PubChem (CID 157047787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).