ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate

C11H16N2O2 — CID 104939504

IUPACethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1ccnn1CC
InChIInChI=1S/C11H16N2O2/c1-4-13-10(6-7-12-13)8-9(3)11(14)15-5-2/h6-8H,4-5H2,1-3H3
InChIKeyCVAZYGCZLCIFLN-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds4

About ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate

ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate (PubChem CID 104939504) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
PubChem CID104939504
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate
SMILESCCOC(=O)C(C)=Cc1ccnn1CC
InChIInChI=1S/C11H16N2O2/c1-4-13-10(6-7-12-13)8-9(3)11(14)15-5-2/h6-8H,4-5H2,1-3H3
InChIKeyCVAZYGCZLCIFLN-UHFFFAOYSA-N
XLogP1.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103090911
(Z)-3-(2-ethylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 114558250
(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine
CID 103091900
2-ethylpyrazole-3-carbaldehyde
CID 7009534
ethyl 3-(3,4-dichlorophenyl)-2-methylprop-2-enoate
CID 154114585
ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
CID 114556106
ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
CID 106885924
(Z)-3-(2-ethylpyrazol-3-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 114558286
ethyl (E)-3-(4-ethylphenyl)-2-methylprop-2-enoate
CID 104503609
ethyl 2-methyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoate
CID 104503690
(E)-1,3-bis(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19553223
ethyl 3-(2,4-dichloro-1,3-thiazol-5-yl)-2-methylprop-2-enoate
CID 104503401

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate?
The IUPAC name of ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate (CID 104939504) is ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate.
What is the SMILES notation for ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate?
The canonical SMILES for ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate is CCOC(=O)C(C)=Cc1ccnn1CC.
What is the InChIKey of ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate?
The InChIKey is CVAZYGCZLCIFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-13-10(6-7-12-13)8-9(3)11(14)15-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate?
ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate has a molecular weight of 208.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethylpyrazol-3-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 104939504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).