methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate

C13H13N3O3 — CID 43623067

IUPACmethyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C13H13N3O3/c1-16(12(17)9-7-14-15-8-9)11-6-4-3-5-10(11)13(18)19-2/h3-8H,1-2H3,(H,14,15)
InChIKeyXWBVQFQVENOVMY-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate

methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate (PubChem CID 43623067) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
PubChem CID43623067
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namemethyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C13H13N3O3/c1-16(12(17)9-7-14-15-8-9)11-6-4-3-5-10(11)13(18)19-2/h3-8H,1-2H3,(H,14,15)
InChIKeyXWBVQFQVENOVMY-UHFFFAOYSA-N
XLogP1.47
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
methyl 2-[[2-(4-fluorophenyl)triazole-4-carbonyl]-methylamino]benzoate
CID 99695986
2-[(2-methoxycarbonylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154768
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
methyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423135
methyl 2-[2-bromopropanoyl(methyl)amino]benzoate
CID 11392410
methyl 2-[methyl-[(4-methylphenyl)carbamoyl]amino]benzoate
CID 20787944
N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 114088400
methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate
CID 60724264
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate (CID 43623067) is methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)c1cn[nH]c1.
What is the InChIKey of methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate?
The InChIKey is XWBVQFQVENOVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16(12(17)9-7-14-15-8-9)11-6-4-3-5-10(11)13(18)19-2/h3-8H,1-2H3,(H,14,15).
What are the key properties of methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate?
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate has a molecular weight of 259.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 43623067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).