1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea

C24H23N5O2 — CID 166211629

IUPAC1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea
SMILESCc1ccc(-n2nc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)cc2C)cc1
InChIInChI=1S/C24H23N5O2/c1-16-7-11-21(12-8-16)29-17(2)13-22(28-29)25-24(31)27-26-23(30)15-18-9-10-19-5-3-4-6-20(19)14-18/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,27,28,31)
InChIKeyOPNONABZDHTWFZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.04
Rot. Bonds4

About 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea

1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea (PubChem CID 166211629) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea.

Molecular Properties

Compound Name1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea
PubChem CID166211629
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea
SMILESCc1ccc(-n2nc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)cc2C)cc1
InChIInChI=1S/C24H23N5O2/c1-16-7-11-21(12-8-16)29-17(2)13-22(28-29)25-24(31)27-26-23(30)15-18-9-10-19-5-3-4-6-20(19)14-18/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,27,28,31)
InChIKeyOPNONABZDHTWFZ-UHFFFAOYSA-N
XLogP4.04
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea?
The IUPAC name of 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea (CID 166211629) is 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea.
What is the SMILES notation for 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea?
The canonical SMILES for 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea is Cc1ccc(-n2nc(NC(=O)NNC(=O)Cc3ccc4ccccc4c3)cc2C)cc1.
What is the InChIKey of 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea?
The InChIKey is OPNONABZDHTWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-7-11-21(12-8-16)29-17(2)13-22(28-29)25-24(31)27-26-23(30)15-18-9-10-19-5-3-4-6-20(19)14-18/h3-14H,15H2,1-2H3,(H,26,30)(H2,25,27,28,31).
What are the key properties of 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea?
1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea has a molecular weight of 413.48 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(2-naphthalen-2-ylacetyl)amino]urea is sourced from PubChem (CID 166211629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).