1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C18H18N4O2 — CID 146307600

IUPAC1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCON(C(=O)N(C)c1ccc(-c2cn[nH]c2)cc1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21(18(23)22(24-2)17-6-4-3-5-7-17)16-10-8-14(9-11-16)15-12-19-20-13-15/h3-13H,1-2H3,(H,19,20)
InChIKeyLOEUJENUPVYXLH-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.70
Rot. Bonds4

About 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 146307600) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID146307600
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCON(C(=O)N(C)c1ccc(-c2cn[nH]c2)cc1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21(18(23)22(24-2)17-6-4-3-5-7-17)16-10-8-14(9-11-16)15-12-19-20-13-15/h3-13H,1-2H3,(H,19,20)
InChIKeyLOEUJENUPVYXLH-UHFFFAOYSA-N
XLogP3.70
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 146307600) is 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea is CON(C(=O)N(C)c1ccc(-c2cn[nH]c2)cc1)c1ccccc1.
What is the InChIKey of 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is LOEUJENUPVYXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21(18(23)22(24-2)17-6-4-3-5-7-17)16-10-8-14(9-11-16)15-12-19-20-13-15/h3-13H,1-2H3,(H,19,20).
What are the key properties of 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 146307600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).