4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide

C21H21N3O2 — CID 51105933

IUPAC4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c25-20(17-7-3-1-4-8-17)11-12-21(26)22-15-13-18-14-16-24(23-18)19-9-5-2-6-10-19/h1-10,14,16H,11-13,15H2,(H,22,26)
InChIKeyVJJGNACYGUODJB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.19
Rot. Bonds8

About 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide

4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide (PubChem CID 51105933) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
PubChem CID51105933
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
SMILESO=C(CCC(=O)c1ccccc1)NCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c25-20(17-7-3-1-4-8-17)11-12-21(26)22-15-13-18-14-16-24(23-18)19-9-5-2-6-10-19/h1-10,14,16H,11-13,15H2,(H,22,26)
InChIKeyVJJGNACYGUODJB-UHFFFAOYSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
3-cyano-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122229
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
2-(1H-indol-3-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]acetamide
CID 51105936
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213413
2-phenyl-2-[2-(1-phenylpyrazol-3-yl)ethylamino]acetamide
CID 51107455
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide
CID 51106857

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide (CID 51105933) is 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide is O=C(CCC(=O)c1ccccc1)NCCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The InChIKey is VJJGNACYGUODJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(17-7-3-1-4-8-17)11-12-21(26)22-15-13-18-14-16-24(23-18)19-9-5-2-6-10-19/h1-10,14,16H,11-13,15H2,(H,22,26).
What are the key properties of 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide has a molecular weight of 347.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 51105933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).