1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone

C33H23ClN4O — CID 10907516

IUPAC1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)n1nc(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C33H23ClN4O/c34-28-17-19-29(20-18-28)35-36-32-31(25-10-3-1-4-11-25)37-38(33(32)26-12-5-2-6-13-26)30(39)22-23-15-16-24-9-7-8-14-27(24)21-23/h1-21H,22H2/b36-35+
InChIKeyRKYKFGXCJYHTOA-ULDVOPSXSA-N
MW527.03 g/mol
LogP9.32
Rot. Bonds6

About 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone

1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone (PubChem CID 10907516) has the molecular formula C33H23ClN4O and a molecular weight of 527.03 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone
PubChem CID10907516
Molecular FormulaC33H23ClN4O
Molecular Weight527.03 g/mol
Exact Mass526.16
IUPAC Name1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)n1nc(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C33H23ClN4O/c34-28-17-19-29(20-18-28)35-36-32-31(25-10-3-1-4-11-25)37-38(33(32)26-12-5-2-6-13-26)30(39)22-23-15-16-24-9-7-8-14-27(24)21-23/h1-21H,22H2/b36-35+
InChIKeyRKYKFGXCJYHTOA-ULDVOPSXSA-N
XLogP9.32
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.03
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
sodium 2-naphthalen-2-ylacetate
CID 23688045
4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide
CID 101082700
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849309
2-[3-[(2S,5R)-5-benzyl-1-[[3-(4-chlorophenyl)phenyl]methyl]-4-(2-naphthalen-2-ylacetyl)piperazin-2-yl]propyl]guanidine
CID 12000913
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)diazenyl]phenyl]acetic acid
CID 135645739
1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene
CID 14920703
N-(4-amino-2,2-dimethylbutyl)-2-naphthalen-2-ylacetamide
CID 106139776
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-ylethanone
CID 16849457

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone (CID 10907516) is 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)n1nc(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)c1-c1ccccc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone?
The InChIKey is RKYKFGXCJYHTOA-ULDVOPSXSA-N. The full InChI is InChI=1S/C33H23ClN4O/c34-28-17-19-29(20-18-28)35-36-32-31(25-10-3-1-4-11-25)37-38(33(32)26-12-5-2-6-13-26)30(39)22-23-15-16-24-9-7-8-14-27(24)21-23/h1-21H,22H2/b36-35+.
What are the key properties of 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone?
1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone has a molecular weight of 527.03 g/mol, XLogP of 9.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 10907516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).