ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate

C13H18N2O3 — CID 143899550

IUPACethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
SMILESCC.CCOC(=O)c1cc(-c2ccco2)nn1C
InChIInChI=1S/C11H12N2O3.C2H6/c1-3-15-11(14)9-7-8(12-13(9)2)10-5-4-6-16-10;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyYORMDDMUOZYTSG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.88
Rot. Bonds3

About ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate

ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate (PubChem CID 143899550) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
PubChem CID143899550
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
SMILESCC.CCOC(=O)c1cc(-c2ccco2)nn1C
InChIInChI=1S/C11H12N2O3.C2H6/c1-3-15-11(14)9-7-8(12-13(9)2)10-5-4-6-16-10;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyYORMDDMUOZYTSG-UHFFFAOYSA-N
XLogP2.88
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(furan-2-yl)-1-prop-2-enylpyrazole-5-carboxylate
CID 102529962
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925
ethyl 1-methyl-3-pyrimidin-2-ylpyrazole-5-carboxylate
CID 170337369
N-butan-2-yl-3-(furan-2-yl)-1-methylpyrazole-5-carboxamide
CID 42656738
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
ethyl 1-methyl-3-(3,5,6-trimethyl-2-pyridinyl)pyrazole-5-carboxylate
CID 59946948
ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
CID 1379341
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
ethyl 6-(furan-2-yl)-4-phenylpyridine-3-carboxylate
CID 50924647
[2-(butylamino)-2-oxoethyl] 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylate
CID 55491371
ethyl 3-[2-(3-methoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218244

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate (CID 143899550) is ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate is CC.CCOC(=O)c1cc(-c2ccco2)nn1C.
What is the InChIKey of ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate?
The InChIKey is YORMDDMUOZYTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.C2H6/c1-3-15-11(14)9-7-8(12-13(9)2)10-5-4-6-16-10;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate?
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 143899550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).