methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate

C11H12N2O3 — CID 90869704

IUPACmethyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(C)n(C)n2)o1
InChIInChI=1S/C11H12N2O3/c1-7-6-8(12-13(7)2)9-4-5-10(16-9)11(14)15-3/h4-6H,1-3H3
InChIKeyWOIAWIZPOYEVKR-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.78
Rot. Bonds2

About methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate

methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate (PubChem CID 90869704) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate
PubChem CID90869704
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2cc(C)n(C)n2)o1
InChIInChI=1S/C11H12N2O3/c1-7-6-8(12-13(7)2)9-4-5-10(16-9)11(14)15-3/h4-6H,1-3H3
InChIKeyWOIAWIZPOYEVKR-UHFFFAOYSA-N
XLogP1.78
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate (CID 90869704) is methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2cc(C)n(C)n2)o1.
What is the InChIKey of methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate?
The InChIKey is WOIAWIZPOYEVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-6-8(12-13(7)2)9-4-5-10(16-9)11(14)15-3/h4-6H,1-3H3.
What are the key properties of methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate?
methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,5-dimethylpyrazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 90869704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).