1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea

C17H20N4O — CID 74640587

IUPAC1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea
SMILESCc1cccc(NC(=O)NC2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C17H20N4O/c1-12-6-5-9-14(10-12)18-17(22)19-16-11-15(20-21-16)13-7-3-2-4-8-13/h2-10,15-16,20-21H,11H2,1H3,(H2,18,19,22)
InChIKeyPYVMWRLFUSYKJE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.68
Rot. Bonds3

About 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea

1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea (PubChem CID 74640587) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea
PubChem CID74640587
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea
SMILESCc1cccc(NC(=O)NC2CC(c3ccccc3)NN2)c1
InChIInChI=1S/C17H20N4O/c1-12-6-5-9-14(10-12)18-17(22)19-16-11-15(20-21-16)13-7-3-2-4-8-13/h2-10,15-16,20-21H,11H2,1H3,(H2,18,19,22)
InChIKeyPYVMWRLFUSYKJE-UHFFFAOYSA-N
XLogP2.68
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea
CID 74640578
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
N-(3-acetylphenyl)-5-phenylpyrazolidine-3-carboxamide
CID 84865436
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
3,5-dimethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
CID 85498679
1-[(1R,5R)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-(3-methylphenyl)urea
CID 50937938
3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
CID 74640579
(E)-3-(4-bromophenyl)-N-(5-phenylpyrazolidin-3-yl)prop-2-enamide
CID 118987936
1-(4-chloro-6-methyl-1,3-diazinan-2-yl)-3-(3-methylphenyl)urea
CID 145147051
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
N-(3-fluorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 74713535

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea (CID 74640587) is 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea is Cc1cccc(NC(=O)NC2CC(c3ccccc3)NN2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea?
The InChIKey is PYVMWRLFUSYKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-6-5-9-14(10-12)18-17(22)19-16-11-15(20-21-16)13-7-3-2-4-8-13/h2-10,15-16,20-21H,11H2,1H3,(H2,18,19,22).
What are the key properties of 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea?
1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea has a molecular weight of 296.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(5-phenylpyrazolidin-3-yl)urea is sourced from PubChem (CID 74640587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).