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

C14H17N3O2 — CID 62108958

IUPACmethyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1ccnn1C)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-17-12(8-9-16-17)10-15-13(14(18)19-2)11-6-4-3-5-7-11/h3-9,13,15H,10H2,1-2H3
InChIKeyISABYVNHYXNTKU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.42
Rot. Bonds5

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

methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate (PubChem CID 62108958) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
PubChem CID62108958
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1ccnn1C)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-17-12(8-9-16-17)10-15-13(14(18)19-2)11-6-4-3-5-7-11/h3-9,13,15H,10H2,1-2H3
InChIKeyISABYVNHYXNTKU-UHFFFAOYSA-N
XLogP1.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate
CID 64560965
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62109634
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787
methyl 2-[(2-methoxy-3-pyridinyl)methylamino]-2-phenylacetate
CID 78993371
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119727678
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
CID 78997392
methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate
CID 62474419

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate (CID 62108958) is methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate is COC(=O)C(NCc1ccnn1C)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate?
The InChIKey is ISABYVNHYXNTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-12(8-9-16-17)10-15-13(14(18)19-2)11-6-4-3-5-7-11/h3-9,13,15H,10H2,1-2H3.
What are the key properties of methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate?
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate has a molecular weight of 259.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate is sourced from PubChem (CID 62108958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).