1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone

C27H23ClN4O3 — CID 141429120

IUPAC1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone
SMILESCOc1ccc(-c2cc(C3=CN(C(C)=O)N(c4ccc(Cl)cc4)O3)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C27H23ClN4O3/c1-19(33)31-18-27(35-32(31)23-12-10-22(28)11-13-23)26-16-25(21-8-14-24(34-2)15-9-21)29-30(26)17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3
InChIKeyKWBPADYRGPENEH-UHFFFAOYSA-N
MW486.96 g/mol
LogP5.77
Rot. Bonds6

About 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone

1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone (PubChem CID 141429120) has the molecular formula C27H23ClN4O3 and a molecular weight of 486.96 g/mol. Its IUPAC name is 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone
PubChem CID141429120
Molecular FormulaC27H23ClN4O3
Molecular Weight486.96 g/mol
Exact Mass486.15
IUPAC Name1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone
SMILESCOc1ccc(-c2cc(C3=CN(C(C)=O)N(c4ccc(Cl)cc4)O3)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C27H23ClN4O3/c1-19(33)31-18-27(35-32(31)23-12-10-22(28)11-13-23)26-16-25(21-8-14-24(34-2)15-9-21)29-30(26)17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3
InChIKeyKWBPADYRGPENEH-UHFFFAOYSA-N
XLogP5.77
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.96
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 86762670
1-[(4-chlorophenyl)methyl]-5-(4-methoxyphenyl)pyrazole-3-carbohydrazide
CID 91871470
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
2-(3-chlorophenyl)-3-[5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]propanoic acid
CID 59984388
3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586923
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
3-[[4-[[3-(3-chloro-5-methylphenyl)-5-(4-methoxyphenyl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 142930209
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
1-[(4-tert-butylphenyl)methyl]-3-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]pyrazole-5-carboxamide
CID 44555488
1-[(2,5-dichlorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871347

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone (CID 141429120) is 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone is COc1ccc(-c2cc(C3=CN(C(C)=O)N(c4ccc(Cl)cc4)O3)n(Cc3ccccc3)n2)cc1.
What is the InChIKey of 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone?
The InChIKey is KWBPADYRGPENEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O3/c1-19(33)31-18-27(35-32(31)23-12-10-22(28)11-13-23)26-16-25(21-8-14-24(34-2)15-9-21)29-30(26)17-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3.
What are the key properties of 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone?
1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone has a molecular weight of 486.96 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-benzyl-3-(4-methoxyphenyl)pyrazol-5-yl]-2-(4-chlorophenyl)oxadiazol-3-yl]ethanone is sourced from PubChem (CID 141429120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).