N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide

C20H20N4O2 — CID 134000509

IUPACN-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c25-19(14-22-20(26)17-7-3-1-4-8-17)21-12-11-16-13-23-24(15-16)18-9-5-2-6-10-18/h1-10,13,15H,11-12,14H2,(H,21,25)(H,22,26)
InChIKeyGSBSXWIZQVLFOJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.96
Rot. Bonds7

About N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide

N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide (PubChem CID 134000509) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
PubChem CID134000509
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H20N4O2/c25-19(14-22-20(26)17-7-3-1-4-8-17)21-12-11-16-13-23-24(15-16)18-9-5-2-6-10-18/h1-10,13,15H,11-12,14H2,(H,21,25)(H,22,26)
InChIKeyGSBSXWIZQVLFOJ-UHFFFAOYSA-N
XLogP1.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 55504998
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide (CID 134000509) is N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide?
The InChIKey is GSBSXWIZQVLFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(14-22-20(26)17-7-3-1-4-8-17)21-12-11-16-13-23-24(15-16)18-9-5-2-6-10-18/h1-10,13,15H,11-12,14H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide?
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 134000509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).