methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate

C13H14N4O3 — CID 82546289

IUPACmethyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn(C)c1N
InChIInChI=1S/C13H14N4O3/c1-17-11(14)9(7-15-17)12(18)16-10-6-4-3-5-8(10)13(19)20-2/h3-7H,14H2,1-2H3,(H,16,18)
InChIKeyZSIVWYQFEIDWRZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.04
Rot. Bonds3

About methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate

methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 82546289) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
PubChem CID82546289
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Namemethyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnn(C)c1N
InChIInChI=1S/C13H14N4O3/c1-17-11(14)9(7-15-17)12(18)16-10-6-4-3-5-8(10)13(19)20-2/h3-7H,14H2,1-2H3,(H,16,18)
InChIKeyZSIVWYQFEIDWRZ-UHFFFAOYSA-N
XLogP1.04
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 115330655
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
methyl 2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692910
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743
methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate (CID 82546289) is methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnn(C)c1N.
What is the InChIKey of methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is ZSIVWYQFEIDWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-17-11(14)9(7-15-17)12(18)16-10-6-4-3-5-8(10)13(19)20-2/h3-7H,14H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate?
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 274.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 82546289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).