1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea

C17H15BrN4O — CID 2819936

IUPAC1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea
SMILESCn1cc(Br)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C17H15BrN4O/c1-22-11-15(18)16(21-22)12-7-9-14(10-8-12)20-17(23)19-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,23)
InChIKeyOLMLDCGTAZXZHZ-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.49
Rot. Bonds3

About 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea

1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea (PubChem CID 2819936) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea
PubChem CID2819936
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea
SMILESCn1cc(Br)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
InChIInChI=1S/C17H15BrN4O/c1-22-11-15(18)16(21-22)12-7-9-14(10-8-12)20-17(23)19-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,23)
InChIKeyOLMLDCGTAZXZHZ-UHFFFAOYSA-N
XLogP4.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea (CID 2819936) is 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea is Cn1cc(Br)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1.
What is the InChIKey of 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea?
The InChIKey is OLMLDCGTAZXZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c1-22-11-15(18)16(21-22)12-7-9-14(10-8-12)20-17(23)19-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,23).
What are the key properties of 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea?
1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea has a molecular weight of 371.24 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 2819936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).