ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate

C14H17N3O2 — CID 43663374

IUPACethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate
SMILESCCOC(=O)c1ccccc1NCc1ccnn1C
InChIInChI=1S/C14H17N3O2/c1-3-19-14(18)12-6-4-5-7-13(12)15-10-11-8-9-16-17(11)2/h4-9,15H,3,10H2,1-2H3
InChIKeyOODWELCYCVUCOZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate

ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate (PubChem CID 43663374) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate
PubChem CID43663374
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate
SMILESCCOC(=O)c1ccccc1NCc1ccnn1C
InChIInChI=1S/C14H17N3O2/c1-3-19-14(18)12-6-4-5-7-13(12)15-10-11-8-9-16-17(11)2/h4-9,15H,3,10H2,1-2H3
InChIKeyOODWELCYCVUCOZ-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate 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

ethyl 2-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66412680
ethyl 2-(1,3-thiazol-5-ylmethylamino)benzoate
CID 55109855
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
ethyl 2-[(1-methylpyrrol-3-yl)methylamino]benzoate
CID 66398304
ethyl 2-(1H-pyrrol-3-ylmethylamino)benzoate
CID 66410244
ethyl 2-[(2-methylpyrimidin-4-yl)methylamino]benzoate
CID 62749628
ethyl 2-(propylamino)benzoate
CID 15662762
ethyl 2-[(3-cyclopropylimidazol-4-yl)methylamino]benzoate
CID 66164081
ethyl 2-[(2,6-difluorophenyl)methylamino]benzoate
CID 43322204
ethyl 2-[(1-ethylpyrrol-3-yl)methylamino]benzoate
CID 66397344
ethyl 5-[(2-ethylanilino)methyl]-1-methylpyrazole-4-carboxylate
CID 116630673
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate?
The IUPAC name of ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate (CID 43663374) is ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate?
The canonical SMILES for ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate is CCOC(=O)c1ccccc1NCc1ccnn1C.
What is the InChIKey of ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate?
The InChIKey is OODWELCYCVUCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-14(18)12-6-4-5-7-13(12)15-10-11-8-9-16-17(11)2/h4-9,15H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate?
ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate has a molecular weight of 259.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate is sourced from PubChem (CID 43663374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).