ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate

C12H12N2O4 — CID 122217500

IUPACethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c(=O)cc(C3CC3)oc12
InChIInChI=1S/C12H12N2O4/c1-2-17-12(16)10-11-9(13-14-10)7(15)5-8(18-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyOWSXMSSMZVFSHN-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.57
Rot. Bonds3

About ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate

ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate (PubChem CID 122217500) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate
PubChem CID122217500
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Nameethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate
SMILESCCOC(=O)c1[nH]nc2c(=O)cc(C3CC3)oc12
InChIInChI=1S/C12H12N2O4/c1-2-17-12(16)10-11-9(13-14-10)7(15)5-8(18-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyOWSXMSSMZVFSHN-UHFFFAOYSA-N
XLogP1.57
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate (CID 122217500) is ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate is CCOC(=O)c1[nH]nc2c(=O)cc(C3CC3)oc12.
What is the InChIKey of ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate?
The InChIKey is OWSXMSSMZVFSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-2-17-12(16)10-11-9(13-14-10)7(15)5-8(18-11)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate?
ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-7-oxo-2H-pyrano[3,2-c]pyrazole-3-carboxylate is sourced from PubChem (CID 122217500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).