N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide

C18H16N4O2 — CID 110745069

IUPACN-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H16N4O2/c23-17(13-19-18(24)14-5-2-1-3-6-14)21-15-7-9-16(10-8-15)22-12-4-11-20-22/h1-12H,13H2,(H,19,24)(H,21,23)
InChIKeyQLRCNBGNJAGNPA-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.24
Rot. Bonds5

About N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide

N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide (PubChem CID 110745069) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
PubChem CID110745069
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H16N4O2/c23-17(13-19-18(24)14-5-2-1-3-6-14)21-15-7-9-16(10-8-15)22-12-4-11-20-22/h1-12H,13H2,(H,19,24)(H,21,23)
InChIKeyQLRCNBGNJAGNPA-UHFFFAOYSA-N
XLogP2.24
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide
CID 55980228
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide
CID 120562018
4-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 120562017
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
4-hydroxy-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pyrrolidine-2-carboxamide
CID 119768003
2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119314524
4-pyrazol-1-yl-N-pyridin-4-ylbenzamide
CID 27700232
3-(4-methoxyphenyl)-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]propanamide
CID 51133173
2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119768018
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide (CID 110745069) is N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide?
The InChIKey is QLRCNBGNJAGNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17(13-19-18(24)14-5-2-1-3-6-14)21-15-7-9-16(10-8-15)22-12-4-11-20-22/h1-12H,13H2,(H,19,24)(H,21,23).
What are the key properties of N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide?
N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide has a molecular weight of 320.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide is sourced from PubChem (CID 110745069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).