1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea

C18H18N4O2 — CID 47040862

IUPAC1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
SMILESCN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C18H18N4O2/c1-21(13-14-7-9-15(23)10-8-14)18(24)20-16-5-2-3-6-17(16)22-12-4-11-19-22/h2-12,23H,13H2,1H3,(H,20,24)
InChIKeyMJMUJUXDTGTLQG-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.24
Rot. Bonds4

About 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea

1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea (PubChem CID 47040862) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
PubChem CID47040862
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea
SMILESCN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1-n1cccn1
InChIInChI=1S/C18H18N4O2/c1-21(13-14-7-9-15(23)10-8-14)18(24)20-16-5-2-3-6-17(16)22-12-4-11-19-22/h2-12,23H,13H2,1H3,(H,20,24)
InChIKeyMJMUJUXDTGTLQG-UHFFFAOYSA-N
XLogP3.24
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea (CID 47040862) is 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea is CN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1-n1cccn1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea?
The InChIKey is MJMUJUXDTGTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21(13-14-7-9-15(23)10-8-14)18(24)20-16-5-2-3-6-17(16)22-12-4-11-19-22/h2-12,23H,13H2,1H3,(H,20,24).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea?
1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea has a molecular weight of 322.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-1-methyl-3-(2-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 47040862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).