2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C25H23N3O — CID 16606743

IUPAC2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O/c29-25(24(21-10-4-1-5-11-21)22-12-6-2-7-13-22)26-17-16-20-18-27-28(19-20)23-14-8-3-9-15-23/h1-15,18-19,24H,16-17H2,(H,26,29)
InChIKeyKATUFUPWDPLKAA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.36
Rot. Bonds7

About 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 16606743) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID16606743
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O/c29-25(24(21-10-4-1-5-11-21)22-12-6-2-7-13-22)26-17-16-20-18-27-28(19-20)23-14-8-3-9-15-23/h1-15,18-19,24H,16-17H2,(H,26,29)
InChIKeyKATUFUPWDPLKAA-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
(2R)-2-(carbamoylamino)-3,3-dimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 124874597
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 119700606
(2R)-2-amino-3-methyl-3-methylsulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 157013867
2-methyl-1-(1-phenylethyl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 110950057
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70773858
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 111504369
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 16606743) is 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is O=C(NCCc1cnn(-c2ccccc2)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is KATUFUPWDPLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25(24(21-10-4-1-5-11-21)22-12-6-2-7-13-22)26-17-16-20-18-27-28(19-20)23-14-8-3-9-15-23/h1-15,18-19,24H,16-17H2,(H,26,29).
What are the key properties of 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 16606743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).