N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide

C30H26N4O2 — CID 75202299

IUPACN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)ccc2c1
InChIInChI=1S/C30H26N4O2/c1-21(23-13-14-25-18-28(36-2)16-15-24(25)17-23)30(35)32-31-19-26-20-34(27-11-7-4-8-12-27)33-29(26)22-9-5-3-6-10-22/h3-21H,1-2H3,(H,32,35)/b31-19+
InChIKeyJHAYHOBCLUAESG-ZCTHSVRISA-N
MW474.56 g/mol
LogP5.95
Rot. Bonds7

About N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide

N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 75202299) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID75202299
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC NameN-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc(C(C)C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)ccc2c1
InChIInChI=1S/C30H26N4O2/c1-21(23-13-14-25-18-28(36-2)16-15-24(25)17-23)30(35)32-31-19-26-20-34(27-11-7-4-8-12-27)33-29(26)22-9-5-3-6-10-22/h3-21H,1-2H3,(H,32,35)/b31-19+
InChIKeyJHAYHOBCLUAESG-ZCTHSVRISA-N
XLogP5.95
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.95
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

(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 136662783
N-(3-methoxyphenyl)-N'-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 51061241
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 7976863
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181
4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 1363818
2-fluoro-N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9236351
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]hexadecanamide
CID 51061304
N'-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 3553633
(2S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 175678290
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6075112
(2S)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 29039173
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 17389126

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 75202299) is N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc(C(C)C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccccc3)ccc2c1.
What is the InChIKey of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is JHAYHOBCLUAESG-ZCTHSVRISA-N. The full InChI is InChI=1S/C30H26N4O2/c1-21(23-13-14-25-18-28(36-2)16-15-24(25)17-23)30(35)32-31-19-26-20-34(27-11-7-4-8-12-27)33-29(26)22-9-5-3-6-10-22/h3-21H,1-2H3,(H,32,35)/b31-19+.
What are the key properties of N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide?
N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 474.56 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 75202299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).