methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate

C11H12N2O3 — CID 11252979

IUPACmethyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate
SMILESCCc1cc(-c2ccc(C(=O)OC)o2)n[nH]1
InChIInChI=1S/C11H12N2O3/c1-3-7-6-8(13-12-7)9-4-5-10(16-9)11(14)15-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyHHUODKSFYMFYJC-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.02
Rot. Bonds3

About methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate

methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate (PubChem CID 11252979) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate
PubChem CID11252979
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate
SMILESCCc1cc(-c2ccc(C(=O)OC)o2)n[nH]1
InChIInChI=1S/C11H12N2O3/c1-3-7-6-8(13-12-7)9-4-5-10(16-9)11(14)15-2/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyHHUODKSFYMFYJC-UHFFFAOYSA-N
XLogP2.02
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate (CID 11252979) is methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate is CCc1cc(-c2ccc(C(=O)OC)o2)n[nH]1.
What is the InChIKey of methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate?
The InChIKey is HHUODKSFYMFYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-7-6-8(13-12-7)9-4-5-10(16-9)11(14)15-2/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate?
methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-ethyl-1H-pyrazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 11252979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).