1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

C18H18N4O2 — CID 68563527

IUPAC1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-17-5-3-2-4-14(17)10-19-18(23)22-16-8-6-13(7-9-16)15-11-20-21-12-15/h2-9,11-12H,10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyVDHLEVSDNWOOQU-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.41
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea

1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68563527) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68563527
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H18N4O2/c1-24-17-5-3-2-4-14(17)10-19-18(23)22-16-8-6-13(7-9-16)15-11-20-21-12-15/h2-9,11-12H,10H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyVDHLEVSDNWOOQU-UHFFFAOYSA-N
XLogP3.41
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]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-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68563527) is 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is COc1ccccc1CNC(=O)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is VDHLEVSDNWOOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-17-5-3-2-4-14(17)10-19-18(23)22-16-8-6-13(7-9-16)15-11-20-21-12-15/h2-9,11-12H,10H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 322.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68563527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).