ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate

C13H14N2O3 — CID 102529962

IUPACethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate
SMILESC=CCn1nc(-c2ccco2)cc1C(=O)OCC
InChIInChI=1S/C13H14N2O3/c1-3-7-15-11(13(16)17-4-2)9-10(14-15)12-6-5-8-18-12/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyRJSQTSIIEVUFSR-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.51
Rot. Bonds5

About ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate

ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate (PubChem CID 102529962) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate
PubChem CID102529962
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate
SMILESC=CCn1nc(-c2ccco2)cc1C(=O)OCC
InChIInChI=1S/C13H14N2O3/c1-3-7-15-11(13(16)17-4-2)9-10(14-15)12-6-5-8-18-12/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyRJSQTSIIEVUFSR-UHFFFAOYSA-N
XLogP2.51
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
CID 1379341
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
ethyl 3-oxo-2-prop-2-enyl-6-thiophen-2-ylpyridazine-4-carboxylate
CID 100785362
ethyl 6-methyl-3-oxo-2-prop-2-enylpyridazine-4-carboxylate
CID 100752742
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
CID 50924647
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
[2-(butylamino)-2-oxoethyl] 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylate
CID 55491371
ethyl 2-[(4-benzylphenyl)methyl]-6-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 118423466
CID 44819660
CID 44819660
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
ethyl 4-ethyl-5-methyl-1-prop-2-enylpyrrole-2-carboxylate
CID 18785620

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate (CID 102529962) is ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate is C=CCn1nc(-c2ccco2)cc1C(=O)OCC.
What is the InChIKey of ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate?
The InChIKey is RJSQTSIIEVUFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-7-15-11(13(16)17-4-2)9-10(14-15)12-6-5-8-18-12/h3,5-6,8-9H,1,4,7H2,2H3.
What are the key properties of ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate?
ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate is sourced from PubChem (CID 102529962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).