N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide

C23H21N3O — CID 3292253

IUPACN-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H21N3O/c1-17(27)24-20-14-12-18(13-15-20)22-16-23(19-8-4-2-5-9-19)26(25-22)21-10-6-3-7-11-21/h2-15,23H,16H2,1H3,(H,24,27)
InChIKeyDWGQJSSCAHGCJB-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.00
Rot. Bonds4

About N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide

N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide (PubChem CID 3292253) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
PubChem CID3292253
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H21N3O/c1-17(27)24-20-14-12-18(13-15-20)22-16-23(19-8-4-2-5-9-19)26(25-22)21-10-6-3-7-11-21/h2-15,23H,16H2,1H3,(H,24,27)
InChIKeyDWGQJSSCAHGCJB-UHFFFAOYSA-N
XLogP5.00
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide (CID 3292253) is N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
The InChIKey is DWGQJSSCAHGCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-17(27)24-20-14-12-18(13-15-20)22-16-23(19-8-4-2-5-9-19)26(25-22)21-10-6-3-7-11-21/h2-15,23H,16H2,1H3,(H,24,27).
What are the key properties of N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide?
N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 3292253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).