1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea

C18H22N4O — CID 74640578

IUPAC1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea
SMILESCc1ccc(C)c(NC(=O)NC2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C18H22N4O/c1-12-8-9-13(2)15(10-12)19-18(23)20-17-11-16(21-22-17)14-6-4-3-5-7-14/h3-10,16-17,21-22H,11H2,1-2H3,(H2,19,20,23)
InChIKeyYIMHLTIHTPYARI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.99
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea

1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea (PubChem CID 74640578) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea
PubChem CID74640578
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea
SMILESCc1ccc(C)c(NC(=O)NC2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C18H22N4O/c1-12-8-9-13(2)15(10-12)19-18(23)20-17-11-16(21-22-17)14-6-4-3-5-7-14/h3-10,16-17,21-22H,11H2,1-2H3,(H2,19,20,23)
InChIKeyYIMHLTIHTPYARI-UHFFFAOYSA-N
XLogP2.99
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
N-(2,5-dimethylphenyl)-2-[(5-oxo-6-phenyl-1,2,4-triazinan-3-yl)sulfanyl]acetamide
CID 78228822
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
1-(2,5-dimethylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631440
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
methyl (2S,4R)-4-[(2,5-dimethylphenyl)carbamoylamino]-1-methylpyrrolidine-2-carboxylate
CID 50976126
1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
CID 110706691
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
1-(2,5-dimethylphenyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 52768914

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea (CID 74640578) is 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea is Cc1ccc(C)c(NC(=O)NC2CC(c3ccccc3)NN2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea?
The InChIKey is YIMHLTIHTPYARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-8-9-13(2)15(10-12)19-18(23)20-17-11-16(21-22-17)14-6-4-3-5-7-14/h3-10,16-17,21-22H,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea?
1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea has a molecular weight of 310.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea is sourced from PubChem (CID 74640578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).