3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide

C25H22N4O2 — CID 3431104

IUPAC3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4O2/c1-18(19-9-5-3-6-10-19)26-27-25(30)24-17-23(20-13-15-22(31-2)16-14-20)28-29(24)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,27,30)
InChIKeyIJKQPORJROXMGI-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.70
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide

3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide (PubChem CID 3431104) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide
PubChem CID3431104
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NN=C(C)c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N4O2/c1-18(19-9-5-3-6-10-19)26-27-25(30)24-17-23(20-13-15-22(31-2)16-14-20)28-29(24)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,27,30)
InChIKeyIJKQPORJROXMGI-UHFFFAOYSA-N
XLogP4.70
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]-2-(1-phenylethylideneamino)ethanone
CID 157323654
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
N-(4-methoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7899964
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4273385
3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42660586
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide (CID 3431104) is 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NN=C(C)c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide?
The InChIKey is IJKQPORJROXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-18(19-9-5-3-6-10-19)26-27-25(30)24-17-23(20-13-15-22(31-2)16-14-20)28-29(24)21-11-7-4-8-12-21/h3-17H,1-2H3,(H,27,30).
What are the key properties of 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenyl-N-(1-phenylethylideneamino)pyrazole-5-carboxamide is sourced from PubChem (CID 3431104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).