1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea

C20H22N4O — CID 108813385

IUPAC1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)nn1C
InChIInChI=1S/C20H22N4O/c1-16-13-19(22-23(16)2)21-20(25)24(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-13H,14-15H2,1-2H3,(H,21,22,25)
InChIKeyMZJSVKZCQGTXAT-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.96
Rot. Bonds5

About 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea

1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea (PubChem CID 108813385) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea
PubChem CID108813385
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)nn1C
InChIInChI=1S/C20H22N4O/c1-16-13-19(22-23(16)2)21-20(25)24(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-13H,14-15H2,1-2H3,(H,21,22,25)
InChIKeyMZJSVKZCQGTXAT-UHFFFAOYSA-N
XLogP3.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(1,5-dimethylpyrazol-3-yl)-1-propan-2-ylurea
CID 108813256
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812654
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
1-(1,5-dimethylpyrazol-3-yl)-3-(2-ethylphenyl)urea
CID 108813453
2-[benzyl-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]amino]acetic acid
CID 167909633
2-bromo-6-[(1,5-dimethylpyrazol-3-yl)amino]benzoic acid
CID 114253920
3-amino-N-(1,5-dimethylpyrazol-3-yl)propanamide;4-[(1,5-dimethylpyrazol-3-yl)amino]-4-oxobutanoic acid;hydrochloride
CID 161136989
1-(1,5-dimethylpyrazol-3-yl)-3-[[2-(2,2,2-trifluoroethyl)phenyl]methyl]urea
CID 126826794
1-tert-butyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813276
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea (CID 108813385) is 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)nn1C.
What is the InChIKey of 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea?
The InChIKey is MZJSVKZCQGTXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-16-13-19(22-23(16)2)21-20(25)24(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-13H,14-15H2,1-2H3,(H,21,22,25).
What are the key properties of 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea?
1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea has a molecular weight of 334.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 108813385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).