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

C13H13N3O3 — CID 971039

IUPACmethyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)n1cc(C)cn1
InChIInChI=1S/C13H13N3O3/c1-9-7-14-16(8-9)13(18)15-11-6-4-3-5-10(11)12(17)19-2/h3-8H,1-2H3,(H,15,18)
InChIKeyQFZYKCOJMOPUGB-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.06
Rot. Bonds2

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

methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate (PubChem CID 971039) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate
PubChem CID971039
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namemethyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)n1cc(C)cn1
InChIInChI=1S/C13H13N3O3/c1-9-7-14-16(8-9)13(18)15-11-6-4-3-5-10(11)12(17)19-2/h3-8H,1-2H3,(H,15,18)
InChIKeyQFZYKCOJMOPUGB-UHFFFAOYSA-N
XLogP2.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-methylpyrazole-1-carbonyl)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-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 831891
Methyl 2-({[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]carbamoyl}amino)benzoate
CID 16193478
2-[[[(1-Ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]amino]benzoic acid methyl ester
CID 16193479
methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 6466448
methyl 3-{[(1-methyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 1223950
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 994072
methyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 2167889
ethyl 4-({[(1-methyl-1H-pyrazol-3-yl)amino]carbonyl}amino)benzoate
CID 971878
methyl 2-[({4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}carbonyl)amino]benzoate
CID 2206454
Methyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]benzoate
CID 5048348
methyl 4-[[(6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carbonyl)amino]methyl]benzoate
CID 57878353
methyl 2-[({[3-(aminocarbonyl)-1-ethyl-1H-pyrazol-4-yl]amino}carbonyl)amino]benzoate
CID 971834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate (CID 971039) is methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)n1cc(C)cn1.
What is the InChIKey of methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate?
The InChIKey is QFZYKCOJMOPUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-7-14-16(8-9)13(18)15-11-6-4-3-5-10(11)12(17)19-2/h3-8H,1-2H3,(H,15,18).
What are the key properties of methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate?
methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate has a molecular weight of 259.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methylpyrazole-1-carbonyl)amino]benzoate is sourced from PubChem (CID 971039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).