methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate

C18H15N3O3 — CID 86991803

IUPACmethyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2-n2cccn2)cc1
InChIInChI=1S/C18H15N3O3/c1-24-18(23)13-7-9-14(10-8-13)20-17(22)15-5-2-3-6-16(15)21-12-4-11-19-21/h2-12H,1H3,(H,20,22)
InChIKeyHGHUAPSEPYGPLE-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.91
Rot. Bonds4

About methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate

methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate (PubChem CID 86991803) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
PubChem CID86991803
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Namemethyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccccc2-n2cccn2)cc1
InChIInChI=1S/C18H15N3O3/c1-24-18(23)13-7-9-14(10-8-13)20-17(22)15-5-2-3-6-16(15)21-12-4-11-19-21/h2-12H,1H3,(H,20,22)
InChIKeyHGHUAPSEPYGPLE-UHFFFAOYSA-N
XLogP2.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823
N-[3-[(2-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 167847500
N-(4-pyrazin-2-yloxyphenyl)-2-pyrazol-1-ylbenzamide
CID 47047378
N-(1H-indazol-5-yl)-2-pyrazol-1-ylbenzamide
CID 87000919
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide
CID 47037218
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692912
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-pyrazol-1-ylbenzamide
CID 86863573
propan-2-yl 4-[(4-pyrazol-1-ylbenzoyl)amino]benzoate
CID 17497737
methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 43638981
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide
CID 122380402

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate (CID 86991803) is methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccccc2-n2cccn2)cc1.
What is the InChIKey of methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate?
The InChIKey is HGHUAPSEPYGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-24-18(23)13-7-9-14(10-8-13)20-17(22)15-5-2-3-6-16(15)21-12-4-11-19-21/h2-12H,1H3,(H,20,22).
What are the key properties of methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate?
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate has a molecular weight of 321.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate is sourced from PubChem (CID 86991803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).