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

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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).