N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide

C28H24N6O2 — CID 118529604

IUPACN-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(NC(C)=O)cc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C28H24N6O2/c1-17(35)29-23-10-6-19(7-11-23)25-15-27(33-31-25)21-4-3-5-22(14-21)28-16-26(32-34-28)20-8-12-24(13-9-20)30-18(2)36/h3-16H,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeyRXFVVMOSJWFVKN-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.72
Rot. Bonds6

About N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide

N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide (PubChem CID 118529604) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide
PubChem CID118529604
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC NameN-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(NC(C)=O)cc5)[nH]n4)c3)n[nH]2)cc1
InChIInChI=1S/C28H24N6O2/c1-17(35)29-23-10-6-19(7-11-23)25-15-27(33-31-25)21-4-3-5-22(14-21)28-16-26(32-34-28)20-8-12-24(13-9-20)30-18(2)36/h3-16H,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34)
InChIKeyRXFVVMOSJWFVKN-UHFFFAOYSA-N
XLogP5.72
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
ethane;methyl 4-[3-[3-[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzoate
CID 144790688
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
5-(4-methylsulfonylphenyl)-3-[3-[5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529599
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
CID 155037922
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
CID 118577360
N-(4-phenylphenyl)acetamide
CID 19998
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
2-amino-N-[4-[3-[4-(2-aminopropanoylamino)phenyl]-1H-pyrazol-5-yl]phenyl]but-3-enamide
CID 123501920
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide (CID 118529604) is N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(NC(C)=O)cc5)[nH]n4)c3)n[nH]2)cc1.
What is the InChIKey of N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide?
The InChIKey is RXFVVMOSJWFVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-17(35)29-23-10-6-19(7-11-23)25-15-27(33-31-25)21-4-3-5-22(14-21)28-16-26(32-34-28)20-8-12-24(13-9-20)30-18(2)36/h3-16H,1-2H3,(H,29,35)(H,30,36)(H,31,33)(H,32,34).
What are the key properties of N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide?
N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide has a molecular weight of 476.54 g/mol, XLogP of 5.72, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 118529604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).