N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide

C22H18N4O2 — CID 4124264

IUPACN-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H18N4O2/c1-15-20(22(28)26(25-15)17-10-3-2-4-11-17)14-23-24-21(27)19-13-7-9-16-8-5-6-12-18(16)19/h2-14,25H,1H3,(H,24,27)
InChIKeyFBEDXUMUOXWDFA-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.39
Rot. Bonds4

About N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide

N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 4124264) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide
PubChem CID4124264
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H18N4O2/c1-15-20(22(28)26(25-15)17-10-3-2-4-11-17)14-23-24-21(27)19-13-7-9-16-8-5-6-12-18(16)19/h2-14,25H,1H3,(H,24,27)
InChIKeyFBEDXUMUOXWDFA-UHFFFAOYSA-N
XLogP3.39
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 135536611
4-fluoro-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 135579257
2-hydroxy-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenecarbothioamide
CID 171980572
3-chloro-N-[(Z)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 136918892
N-[2-[(2E)-2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135615624
N-[(Z)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-4-nitrobenzamide
CID 136728788
N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135643359
2-(2-methoxyphenoxy)-N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 1047656
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135472615
2-(2-chlorophenoxy)-N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 2835480
5-methyl-4-[[(4-methylphenyl)hydrazinylidene]methyl]-2-phenyl-1H-pyrazol-3-one
CID 136676848
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide (CID 4124264) is N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide is Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is FBEDXUMUOXWDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-20(22(28)26(25-15)17-10-3-2-4-11-17)14-23-24-21(27)19-13-7-9-16-8-5-6-12-18(16)19/h2-14,25H,1H3,(H,24,27).
What are the key properties of N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide?
N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 4124264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).