methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate

C11H19N3O2 — CID 115924194

IUPACmethyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
SMILESCCn1nccc1CNC(C)(C)C(=O)OC
InChIInChI=1S/C11H19N3O2/c1-5-14-9(6-7-13-14)8-12-11(2,3)10(15)16-4/h6-7,12H,5,8H2,1-4H3
InChIKeyLEPYOMAHHHBCDR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.94
Rot. Bonds5

About methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate

methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate (PubChem CID 115924194) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
PubChem CID115924194
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
SMILESCCn1nccc1CNC(C)(C)C(=O)OC
InChIInChI=1S/C11H19N3O2/c1-5-14-9(6-7-13-14)8-12-11(2,3)10(15)16-4/h6-7,12H,5,8H2,1-4H3
InChIKeyLEPYOMAHHHBCDR-UHFFFAOYSA-N
XLogP0.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238
2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
CID 115762417
methyl 4-amino-3-[(2-ethylpyrazol-3-yl)methylamino]benzoate
CID 174198225
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
CID 63204726
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
CID 62391585
4-[(2-ethylpyrazol-3-yl)methylamino]-N,N-dimethylbenzamide
CID 114555070
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845069
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19294705
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate (CID 115924194) is methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate is CCn1nccc1CNC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate?
The InChIKey is LEPYOMAHHHBCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14-9(6-7-13-14)8-12-11(2,3)10(15)16-4/h6-7,12H,5,8H2,1-4H3.
What are the key properties of methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate?
methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate has a molecular weight of 225.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 115924194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).