methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate

C13H13N3O3 — CID 6466448

IUPACmethyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnn1C
InChIInChI=1S/C13H13N3O3/c1-16-11(7-8-14-16)12(17)15-10-6-4-3-5-9(10)13(18)19-2/h3-8H,1-2H3,(H,15,17)
InChIKeyMKVVJWRRLDTYJC-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate

methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 6466448) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate
PubChem CID6466448
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namemethyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccnn1C
InChIInChI=1S/C13H13N3O3/c1-16-11(7-8-14-16)12(17)15-10-6-4-3-5-9(10)13(18)19-2/h3-8H,1-2H3,(H,15,17)
InChIKeyMKVVJWRRLDTYJC-UHFFFAOYSA-N
XLogP1.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 831891
2-{[(1-Methyl-4-nitro-1h-pyrazol-5-yl)carbonyl]amino}benzoic acid
CID 558222
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
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
isopropyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1226242
4-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
CID 3239547
ethyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1301789
Methyl 1-(2-phenylethyl)-4-(3-phenylpropanamido)-1H-pyrazole-3-carboxylate
CID 25009729
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate (CID 6466448) is methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccnn1C.
What is the InChIKey of methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is MKVVJWRRLDTYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-16-11(7-8-14-16)12(17)15-10-6-4-3-5-9(10)13(18)19-2/h3-8H,1-2H3,(H,15,17).
What are the key properties of methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate?
methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 259.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 6466448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).