4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

C23H20N4O — CID 5450359

IUPAC4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1cccc2ccccc12
InChIInChI=1S/C23H20N4O/c1-15-21(18-10-4-3-5-11-18)25-26-22(15)23(28)27-24-16(2)19-14-8-12-17-9-6-7-13-20(17)19/h3-14H,1-2H3,(H,25,26)(H,27,28)/b24-16+
InChIKeyMGQXIUWKBSAPMA-LFVJCYFKSA-N
MW368.44 g/mol
LogP4.69
Rot. Bonds4

About 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 5450359) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID5450359
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1cccc2ccccc12
InChIInChI=1S/C23H20N4O/c1-15-21(18-10-4-3-5-11-18)25-26-22(15)23(28)27-24-16(2)19-14-8-12-17-9-6-7-13-20(17)19/h3-14H,1-2H3,(H,25,26)(H,27,28)/b24-16+
InChIKeyMGQXIUWKBSAPMA-LFVJCYFKSA-N
XLogP4.69
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (CID 5450359) is 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1cccc2ccccc12.
What is the InChIKey of 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is MGQXIUWKBSAPMA-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H20N4O/c1-15-21(18-10-4-3-5-11-18)25-26-22(15)23(28)27-24-16(2)19-14-8-12-17-9-6-7-13-20(17)19/h3-14H,1-2H3,(H,25,26)(H,27,28)/b24-16+.
What are the key properties of 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1-naphthalen-1-ylethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5450359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).