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

C11H12N2O3 — CID 2112251

IUPACethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1
InChIInChI=1S/C11H12N2O3/c1-3-15-11(14)9-6-8(12-13-9)10-5-4-7(2)16-10/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyYFKITICHACVSCW-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.15
Rot. Bonds3

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

ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate (PubChem CID 2112251) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
PubChem CID2112251
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1
InChIInChI=1S/C11H12N2O3/c1-3-15-11(14)9-6-8(12-13-9)10-5-4-7(2)16-10/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyYFKITICHACVSCW-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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
methyl 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylate
CID 16654604
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
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-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate (CID 2112251) is ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(C)o2)n[nH]1.
What is the InChIKey of ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is YFKITICHACVSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-15-11(14)9-6-8(12-13-9)10-5-4-7(2)16-10/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate?
ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 2112251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).