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

C10H10N2O3 — CID 7127811

IUPACethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C10H10N2O3/c1-2-14-10(13)8-6-7(11-12-8)9-4-3-5-15-9/h3-6H,2H2,1H3,(H,11,12)
InChIKeyGSVBXAZEQDJUOY-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.85
Rot. Bonds3

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

ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate (PubChem CID 7127811) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
PubChem CID7127811
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C10H10N2O3/c1-2-14-10(13)8-6-7(11-12-8)9-4-3-5-15-9/h3-6H,2H2,1H3,(H,11,12)
InChIKeyGSVBXAZEQDJUOY-UHFFFAOYSA-N
XLogP1.85
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 654018
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylic acid
CID 651228
3-(furan-2-yl)-1H-pyrazol-5-amine
CID 523183
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 727435
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
5-(1H-pyrazol-5-yl)furan-2-carbaldehyde
CID 17750888
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
Methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
CID 2743394
Phenyl 3-(furan-2-yl)-5-methylpyrazole-1-sulfonate
CID 164616544
N'-[(4-ethylcyclohexyl)carbonyl]-3-(furan-2-yl)-1H-pyrazole-5-carbohydrazide
CID 3417519

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate (CID 7127811) is ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccco2)n[nH]1.
What is the InChIKey of ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is GSVBXAZEQDJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-14-10(13)8-6-7(11-12-8)9-4-3-5-15-9/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 7127811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).