1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea

C23H20N4O2 — CID 137074452

IUPAC1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea
SMILESCc1cccc(-n2[nH]c(C)c(C=NC(=O)Nc3cccc4ccccc34)c2=O)c1
InChIInChI=1S/C23H20N4O2/c1-15-7-5-10-18(13-15)27-22(28)20(16(2)26-27)14-24-23(29)25-21-12-6-9-17-8-3-4-11-19(17)21/h3-14,26H,1-2H3,(H,25,29)
InChIKeyJVZCONGZISEFQX-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.59
Rot. Bonds3

About 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea

1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea (PubChem CID 137074452) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea
PubChem CID137074452
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea
SMILESCc1cccc(-n2[nH]c(C)c(C=NC(=O)Nc3cccc4ccccc34)c2=O)c1
InChIInChI=1S/C23H20N4O2/c1-15-7-5-10-18(13-15)27-22(28)20(16(2)26-27)14-24-23(29)25-21-12-6-9-17-8-3-4-11-19(17)21/h3-14,26H,1-2H3,(H,25,29)
InChIKeyJVZCONGZISEFQX-UHFFFAOYSA-N
XLogP4.59
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-phenylthiourea
CID 137073798
1-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-(2,3-dimethylphenyl)urea
CID 136689254
4-[[(2-chlorophenyl)hydrazinylidene]methyl]-5-methyl-2-(3-methylphenyl)-1H-pyrazol-3-one
CID 137073523
N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]naphthalene-1-carboxamide
CID 4124264
5-methyl-2-(3-methylphenyl)-4-[[(4-methylphenyl)hydrazinylidene]methyl]-1H-pyrazol-3-one
CID 137070239
N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 135536611
(1E)-1-[[2-(4-bromo-2,3-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylidene]-3-(2-ethylphenyl)urea
CID 135644349
N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylidenecarbamothioyl]acetamide
CID 135544702
(3E)-1-(4-bromophenyl)-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]urea
CID 135643830
N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135643359
N-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylideneamino]-3-nitrobenzamide
CID 4913811
4-[(3,5-dinitrophenyl)iminomethyl]-5-methyl-2-(3-methylphenyl)-1H-pyrazol-3-one
CID 137074209

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea (CID 137074452) is 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea is Cc1cccc(-n2[nH]c(C)c(C=NC(=O)Nc3cccc4ccccc34)c2=O)c1.
What is the InChIKey of 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea?
The InChIKey is JVZCONGZISEFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-7-5-10-18(13-15)27-22(28)20(16(2)26-27)14-24-23(29)25-21-12-6-9-17-8-3-4-11-19(17)21/h3-14,26H,1-2H3,(H,25,29).
What are the key properties of 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea?
1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea has a molecular weight of 384.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(3-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-naphthalen-1-ylurea is sourced from PubChem (CID 137074452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).