methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate

C20H19N3O3 — CID 167748936

IUPACmethyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)c1ccc(-n2cc(C)cn2)cc1
InChIInChI=1S/C20H19N3O3/c1-13-11-21-23(12-13)16-9-7-15(8-10-16)19(24)22-18-14(2)5-4-6-17(18)20(25)26-3/h4-12H,1-3H3,(H,22,24)
InChIKeyYQEQNKVCVOSOLU-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.53
Rot. Bonds4

About methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate

methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate (PubChem CID 167748936) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
PubChem CID167748936
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namemethyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(C)c1NC(=O)c1ccc(-n2cc(C)cn2)cc1
InChIInChI=1S/C20H19N3O3/c1-13-11-21-23(12-13)16-9-7-15(8-10-16)19(24)22-18-14(2)5-4-6-17(18)20(25)26-3/h4-12H,1-3H3,(H,22,24)
InChIKeyYQEQNKVCVOSOLU-UHFFFAOYSA-N
XLogP3.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate (CID 167748936) is methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate is COC(=O)c1cccc(C)c1NC(=O)c1ccc(-n2cc(C)cn2)cc1.
What is the InChIKey of methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate?
The InChIKey is YQEQNKVCVOSOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-11-21-23(12-13)16-9-7-15(8-10-16)19(24)22-18-14(2)5-4-6-17(18)20(25)26-3/h4-12H,1-3H3,(H,22,24).
What are the key properties of methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate?
methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate has a molecular weight of 349.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate is sourced from PubChem (CID 167748936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).