methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate

C10H15N3O2 — CID 106936687

IUPACmethyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
SMILESC=Cn1cc(CNC(C)C(=O)OC)cn1
InChIInChI=1S/C10H15N3O2/c1-4-13-7-9(6-12-13)5-11-8(2)10(14)15-3/h4,6-8,11H,1,5H2,2-3H3
InChIKeyDHJJPUKMQYDIQG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.63
Rot. Bonds5

About methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate

methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate (PubChem CID 106936687) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
PubChem CID106936687
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate
SMILESC=Cn1cc(CNC(C)C(=O)OC)cn1
InChIInChI=1S/C10H15N3O2/c1-4-13-7-9(6-12-13)5-11-8(2)10(14)15-3/h4,6-8,11H,1,5H2,2-3H3
InChIKeyDHJJPUKMQYDIQG-UHFFFAOYSA-N
XLogP0.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(1-ethenylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 106936086
3-[(1-ethenylpyrazol-4-yl)methylamino]butanamide
CID 106937399
3-[(1-ethenylpyrazol-4-yl)methylamino]butan-1-ol
CID 106937227
2-N-[(1-ethenylpyrazol-4-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106937204
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methylhexan-2-amine
CID 106936984
1-cyclopropyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-2-amine
CID 106936896
N-[(1-ethenylpyrazol-4-yl)methyl]hydroxylamine
CID 106937175
tert-butyl N-[2-cyclopropyl-2-[(1-ethenylpyrazol-4-yl)methylamino]ethyl]carbamate
CID 107094759
N-[(1-ethenylpyrazol-4-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 106937386
N-[(1-ethenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 106936396
N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 106936168
ethyl 4-[(1-ethenylpyrazol-4-yl)methylamino]benzoate
CID 106935650

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate?
The IUPAC name of methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate (CID 106936687) is methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate is C=Cn1cc(CNC(C)C(=O)OC)cn1.
What is the InChIKey of methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate?
The InChIKey is DHJJPUKMQYDIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-13-7-9(6-12-13)5-11-8(2)10(14)15-3/h4,6-8,11H,1,5H2,2-3H3.
What are the key properties of methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate?
methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate has a molecular weight of 209.25 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethenylpyrazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 106936687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).