1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea

C16H15ClN6O — CID 71789844

IUPAC1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea
SMILESCc1cc(C)n(-c2ncc(NC(=O)Nc3ccccc3Cl)cn2)n1
InChIInChI=1S/C16H15ClN6O/c1-10-7-11(2)23(22-10)15-18-8-12(9-19-15)20-16(24)21-14-6-4-3-5-13(14)17/h3-9H,1-2H3,(H2,20,21,24)
InChIKeyXOSXKCTZRUWCDT-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.58
Rot. Bonds3

About 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea

1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea (PubChem CID 71789844) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea
PubChem CID71789844
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea
SMILESCc1cc(C)n(-c2ncc(NC(=O)Nc3ccccc3Cl)cn2)n1
InChIInChI=1S/C16H15ClN6O/c1-10-7-11(2)23(22-10)15-18-8-12(9-19-15)20-16(24)21-14-6-4-3-5-13(14)17/h3-9H,1-2H3,(H2,20,21,24)
InChIKeyXOSXKCTZRUWCDT-UHFFFAOYSA-N
XLogP3.58
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea (CID 71789844) is 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea is Cc1cc(C)n(-c2ncc(NC(=O)Nc3ccccc3Cl)cn2)n1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea?
The InChIKey is XOSXKCTZRUWCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-10-7-11(2)23(22-10)15-18-8-12(9-19-15)20-16(24)21-14-6-4-3-5-13(14)17/h3-9H,1-2H3,(H2,20,21,24).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea?
1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea has a molecular weight of 342.79 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]urea is sourced from PubChem (CID 71789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).