methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate

C11H10N2O5 — CID 2992589

IUPACmethyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(OC(=O)c2ccco2)n(C)n1
InChIInChI=1S/C11H10N2O5/c1-13-9(6-7(12-13)10(14)16-2)18-11(15)8-4-3-5-17-8/h3-6H,1-2H3
InChIKeyVJNHLBKRLZRYCT-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.02
Rot. Bonds3

About methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate

methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate (PubChem CID 2992589) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate
PubChem CID2992589
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Namemethyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(OC(=O)c2ccco2)n(C)n1
InChIInChI=1S/C11H10N2O5/c1-13-9(6-7(12-13)10(14)16-2)18-11(15)8-4-3-5-17-8/h3-6H,1-2H3
InChIKeyVJNHLBKRLZRYCT-UHFFFAOYSA-N
XLogP1.02
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate (CID 2992589) is methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate is COC(=O)c1cc(OC(=O)c2ccco2)n(C)n1.
What is the InChIKey of methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate?
The InChIKey is VJNHLBKRLZRYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-13-9(6-7(12-13)10(14)16-2)18-11(15)8-4-3-5-17-8/h3-6H,1-2H3.
What are the key properties of methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate?
methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-carbonyloxy)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 2992589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).