methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate

C11H18N2O2 — CID 63975901

IUPACmethyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate
SMILESCCn1nccc1C(C(=O)OC)C(C)C
InChIInChI=1S/C11H18N2O2/c1-5-13-9(6-7-12-13)10(8(2)3)11(14)15-4/h6-8,10H,5H2,1-4H3
InChIKeyOVTKGRIIDHQLQH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.82
Rot. Bonds4

About methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate

methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate (PubChem CID 63975901) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate
PubChem CID63975901
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate
SMILESCCn1nccc1C(C(=O)OC)C(C)C
InChIInChI=1S/C11H18N2O2/c1-5-13-9(6-7-12-13)10(8(2)3)11(14)15-4/h6-8,10H,5H2,1-4H3
InChIKeyOVTKGRIIDHQLQH-UHFFFAOYSA-N
XLogP1.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-3-(2-ethylpyrazol-3-yl)propanoate
CID 114556106
2-amino-3-(2-ethylpyrazol-3-yl)-3-hydroxypropanoic acid
CID 114556287
[1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutyl]hydrazine
CID 105307274
4-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 51388652
[1-(2-ethylpyrazol-3-yl)-2,2-dimethylpropyl]hydrazine
CID 105203081
(3S)-3-acetamido-3-(2-ethylpyrazol-3-yl)propanoic acid
CID 104939477
tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate
CID 114556265
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
CID 115858314
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
CID 104939468
[2-ethoxy-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105235336

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate?
The IUPAC name of methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate (CID 63975901) is methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate?
The canonical SMILES for methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate is CCn1nccc1C(C(=O)OC)C(C)C.
What is the InChIKey of methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate?
The InChIKey is OVTKGRIIDHQLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-13-9(6-7-12-13)10(8(2)3)11(14)15-4/h6-8,10H,5H2,1-4H3.
What are the key properties of methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate?
methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate has a molecular weight of 210.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylpyrazol-3-yl)-3-methylbutanoate is sourced from PubChem (CID 63975901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).