N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide

C21H22N4O2 — CID 55912679

IUPACN-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
SMILESO=C(NC(C(=O)NCCCn1cccn1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N4O2/c26-20(18-11-5-2-6-12-18)24-19(17-9-3-1-4-10-17)21(27)22-13-7-15-25-16-8-14-23-25/h1-6,8-12,14,16,19H,7,13,15H2,(H,22,27)(H,24,26)
InChIKeyIPFUKNASTHYGLZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.56
Rot. Bonds8

About N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide

N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide (PubChem CID 55912679) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
PubChem CID55912679
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
SMILESO=C(NC(C(=O)NCCCn1cccn1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N4O2/c26-20(18-11-5-2-6-12-18)24-19(17-9-3-1-4-10-17)21(27)22-13-7-15-25-16-8-14-23-25/h1-6,8-12,14,16,19H,7,13,15H2,(H,22,27)(H,24,26)
InChIKeyIPFUKNASTHYGLZ-UHFFFAOYSA-N
XLogP2.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
CID 37394224
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111904534
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120654480
2-[methyl(1-phenylethyl)amino]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 60500518
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394573
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide (CID 55912679) is N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide is O=C(NC(C(=O)NCCCn1cccn1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide?
The InChIKey is IPFUKNASTHYGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-20(18-11-5-2-6-12-18)24-19(17-9-3-1-4-10-17)21(27)22-13-7-15-25-16-8-14-23-25/h1-6,8-12,14,16,19H,7,13,15H2,(H,22,27)(H,24,26).
What are the key properties of N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide?
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide is sourced from PubChem (CID 55912679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).