methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate

C14H15N3O3 — CID 60527491

IUPACmethyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1cc(C)cn1
InChIInChI=1S/C14H15N3O3/c1-10-7-15-17(8-10)9-13(18)16-12-6-4-3-5-11(12)14(19)20-2/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyUYHPFWANOANOHP-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.62
Rot. Bonds4

About methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate

methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate (PubChem CID 60527491) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
PubChem CID60527491
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1cc(C)cn1
InChIInChI=1S/C14H15N3O3/c1-10-7-15-17(8-10)9-13(18)16-12-6-4-3-5-11(12)14(19)20-2/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyUYHPFWANOANOHP-UHFFFAOYSA-N
XLogP1.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]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

methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate
CID 62100724
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
methyl 2-[[2-[3-hydroxy-3-(4-methylphenyl)-2-oxoindol-1-yl]acetyl]amino]benzoate
CID 53144125
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
methyl 2-[[3-[(4-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945817
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-(4-formylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995831
methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 46507840

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate (CID 60527491) is methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1cc(C)cn1.
What is the InChIKey of methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate?
The InChIKey is UYHPFWANOANOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-7-15-17(8-10)9-13(18)16-12-6-4-3-5-11(12)14(19)20-2/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate?
methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 60527491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).