3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea

C20H22N4O — CID 24664584

IUPAC3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(20(25)21-12-17-8-4-2-5-9-17)14-19-13-22-24(16-19)15-18-10-6-3-7-11-18/h2-11,13,16H,12,14-15H2,1H3,(H,21,25)
InChIKeyBHLYIQKLIQOYNZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.27
Rot. Bonds6

About 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea

3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea (PubChem CID 24664584) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
PubChem CID24664584
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H22N4O/c1-23(20(25)21-12-17-8-4-2-5-9-17)14-19-13-22-24(16-19)15-18-10-6-3-7-11-18/h2-11,13,16H,12,14-15H2,1H3,(H,21,25)
InChIKeyBHLYIQKLIQOYNZ-UHFFFAOYSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-benzylpyrazol-4-yl)methyl]-1-[(3-cyanophenyl)methyl]-1-methylurea
CID 87007525
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
CID 17488706
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 24528551
3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 87007539
N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 166427424
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 9406480
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
CID 51925794
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47041007
N-[(1-benzylpyrazol-4-yl)methyl]-5-(benzylsulfamoyl)-N,2-dimethylbenzamide
CID 31798787
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea (CID 24664584) is 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea?
The InChIKey is BHLYIQKLIQOYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(20(25)21-12-17-8-4-2-5-9-17)14-19-13-22-24(16-19)15-18-10-6-3-7-11-18/h2-11,13,16H,12,14-15H2,1H3,(H,21,25).
What are the key properties of 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea?
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea has a molecular weight of 334.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 24664584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).