1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea

C11H11BrN4O — CID 2808860

IUPAC1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H11BrN4O/c1-16-10(5-6-13-16)15-11(17)14-9-4-2-3-8(12)7-9/h2-7H,1H3,(H2,14,15,17)
InChIKeyVLJWDLOTMYGPSY-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.83
Rot. Bonds2

About 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea

1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea (PubChem CID 2808860) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea
PubChem CID2808860
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C11H11BrN4O/c1-16-10(5-6-13-16)15-11(17)14-9-4-2-3-8(12)7-9/h2-7H,1H3,(H2,14,15,17)
InChIKeyVLJWDLOTMYGPSY-UHFFFAOYSA-N
XLogP2.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea (CID 2808860) is 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea is Cn1nccc1NC(=O)Nc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is VLJWDLOTMYGPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-16-10(5-6-13-16)15-11(17)14-9-4-2-3-8(12)7-9/h2-7H,1H3,(H2,14,15,17).
What are the key properties of 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea?
1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 295.14 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 2808860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).