1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea

C18H21N7O — CID 16654396

IUPAC1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
SMILESCc1ccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C18H21N7O/c1-13-3-5-15(6-4-13)21-18(26)20-11-10-19-16-7-8-17(23-22-16)25-12-9-14(2)24-25/h3-9,12H,10-11H2,1-2H3,(H,19,22)(H2,20,21,26)
InChIKeyDMZKTBVERAAECM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.51
Rot. Bonds6

About 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea

1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea (PubChem CID 16654396) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
PubChem CID16654396
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
SMILESCc1ccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1
InChIInChI=1S/C18H21N7O/c1-13-3-5-15(6-4-13)21-18(26)20-11-10-19-16-7-8-17(23-22-16)25-12-9-14(2)24-25/h3-9,12H,10-11H2,1-2H3,(H,19,22)(H2,20,21,26)
InChIKeyDMZKTBVERAAECM-UHFFFAOYSA-N
XLogP2.51
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-(3-methylsulfanylphenyl)urea
CID 122327145
4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
1-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122327147
N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133291305
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
CID 16839232
1-(3,5-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654464
2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327239
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 47000825
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-phenoxypropanamide
CID 122327091
2-methoxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122327307

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea (CID 16654396) is 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea is Cc1ccc(NC(=O)NCCNc2ccc(-n3ccc(C)n3)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea?
The InChIKey is DMZKTBVERAAECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-3-5-15(6-4-13)21-18(26)20-11-10-19-16-7-8-17(23-22-16)25-12-9-14(2)24-25/h3-9,12H,10-11H2,1-2H3,(H,19,22)(H2,20,21,26).
What are the key properties of 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea?
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea has a molecular weight of 351.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea is sourced from PubChem (CID 16654396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).