1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone

C26H23N3O2 — CID 157323654

IUPAC1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone
SMILESCOc1ccc(-c2cc(C(=O)C/N=C(\C)c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H23N3O2/c1-19(20-9-5-3-6-10-20)27-18-26(30)25-17-24(21-13-15-23(31-2)16-14-21)28-29(25)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3/b27-19+
InChIKeyBELRBKHEZSSXDQ-ZXVVBBHZSA-N
MW409.49 g/mol
LogP5.24
Rot. Bonds7

About 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone

1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone (PubChem CID 157323654) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone
PubChem CID157323654
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone
SMILESCOc1ccc(-c2cc(C(=O)C/N=C(\C)c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H23N3O2/c1-19(20-9-5-3-6-10-20)27-18-26(30)25-17-24(21-13-15-23(31-2)16-14-21)28-29(25)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3/b27-19+
InChIKeyBELRBKHEZSSXDQ-ZXVVBBHZSA-N
XLogP5.24
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide
CID 3431104
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
CID 1061728
1-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 91872022
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-methoxybenzoate
CID 1061733
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42660586

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone?
The IUPAC name of 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone (CID 157323654) is 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone is COc1ccc(-c2cc(C(=O)C/N=C(\C)c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone?
The InChIKey is BELRBKHEZSSXDQ-ZXVVBBHZSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-19(20-9-5-3-6-10-20)27-18-26(30)25-17-24(21-13-15-23(31-2)16-14-21)28-29(25)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3/b27-19+.
What are the key properties of 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone?
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone has a molecular weight of 409.49 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone is sourced from PubChem (CID 157323654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).