methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate

C15H19N3O2 — CID 64560965

IUPACmethyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-18-13(8-9-17-18)10-16-11-14(15(19)20-2)12-6-4-3-5-7-12/h3-9,14,16H,10-11H2,1-2H3
InChIKeyFHOKRVMVKCAOAX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds6

About methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate

methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate (PubChem CID 64560965) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate
PubChem CID64560965
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCc1ccnn1C)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-18-13(8-9-17-18)10-16-11-14(15(19)20-2)12-6-4-3-5-7-12/h3-9,14,16H,10-11H2,1-2H3
InChIKeyFHOKRVMVKCAOAX-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate
CID 106372343
methyl 2-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 64561155
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119727678
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
3-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 43663377
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 2-phenyl-3-trimethylsilyloxypropanoate
CID 552740

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate (CID 64560965) is methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate is COC(=O)C(CNCc1ccnn1C)c1ccccc1.
What is the InChIKey of methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate?
The InChIKey is FHOKRVMVKCAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-13(8-9-17-18)10-16-11-14(15(19)20-2)12-6-4-3-5-7-12/h3-9,14,16H,10-11H2,1-2H3.
What are the key properties of methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate?
methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate has a molecular weight of 273.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate is sourced from PubChem (CID 64560965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).