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

C20H22N4O — CID 16608929

IUPAC1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCc1ccc(CNC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H22N4O/c1-16-3-5-18(6-4-16)15-22-20(25)21-13-11-17-7-9-19(10-8-17)24-14-2-12-23-24/h2-10,12,14H,11,13,15H2,1H3,(H2,21,22,25)
InChIKeyXMYSIFBRRQEJSN-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.22
Rot. Bonds6

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

1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 16608929) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID16608929
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCc1ccc(CNC(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H22N4O/c1-16-3-5-18(6-4-16)15-22-20(25)21-13-11-17-7-9-19(10-8-17)24-14-2-12-23-24/h2-10,12,14H,11,13,15H2,1H3,(H2,21,22,25)
InChIKeyXMYSIFBRRQEJSN-UHFFFAOYSA-N
XLogP3.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 41412961
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 38205059
1-(2-hydroxypentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337934
2-methyl-1-[(4-methylphenyl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 111244557
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 87007320
1-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea
CID 17283784
1-[3-(N-methylanilino)propyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55769843
1-(2-hydroxy-3-methylpentyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111337933
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 16608929) is 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is Cc1ccc(CNC(=O)NCCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is XMYSIFBRRQEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-3-5-18(6-4-16)15-22-20(25)21-13-11-17-7-9-19(10-8-17)24-14-2-12-23-24/h2-10,12,14H,11,13,15H2,1H3,(H2,21,22,25).
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 334.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 16608929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).