methyl 2-ethylpyrazole-3-carboxylate

C7H10N2O2 — CID 14089974

IUPACmethyl 2-ethylpyrazole-3-carboxylate
SMILESCCn1nccc1C(=O)OC
InChIInChI=1S/C7H10N2O2/c1-3-9-6(4-5-8-9)7(10)11-2/h4-5H,3H2,1-2H3
InChIKeyJNPIKIIETKZOLK-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-ethylpyrazole-3-carboxylate

methyl 2-ethylpyrazole-3-carboxylate (PubChem CID 14089974) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 2-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethylpyrazole-3-carboxylate
PubChem CID14089974
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 2-ethylpyrazole-3-carboxylate
SMILESCCn1nccc1C(=O)OC
InChIInChI=1S/C7H10N2O2/c1-3-9-6(4-5-8-9)7(10)11-2/h4-5H,3H2,1-2H3
InChIKeyJNPIKIIETKZOLK-UHFFFAOYSA-N
XLogP0.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylpyrazole-3-carboxylate?
The IUPAC name of methyl 2-ethylpyrazole-3-carboxylate (CID 14089974) is methyl 2-ethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-ethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 2-ethylpyrazole-3-carboxylate is CCn1nccc1C(=O)OC.
What is the InChIKey of methyl 2-ethylpyrazole-3-carboxylate?
The InChIKey is JNPIKIIETKZOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-9-6(4-5-8-9)7(10)11-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 2-ethylpyrazole-3-carboxylate?
methyl 2-ethylpyrazole-3-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 14089974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).