1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea

C11H10BrClN4O — CID 2808947

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea
SMILESCn1ncc(Br)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10BrClN4O/c1-17-10(9(12)6-14-17)16-11(18)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,15,16,18)
InChIKeyFBXPJUUKCUEZSN-UHFFFAOYSA-N
MW329.59 g/mol
LogP3.48
Rot. Bonds2

About 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea

1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea (PubChem CID 2808947) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea
PubChem CID2808947
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea
SMILESCn1ncc(Br)c1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10BrClN4O/c1-17-10(9(12)6-14-17)16-11(18)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,15,16,18)
InChIKeyFBXPJUUKCUEZSN-UHFFFAOYSA-N
XLogP3.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Tert-Butyl-2-Methyl-2h-Pyrazol-3-Yl)-3-(4-Chloro-Phenyl)-Urea
CID 446816
1-phenyl-3-[1-(propan-2-yl)-1H-pyrazol-5-yl]urea
CID 9361722
1-(2-Methylpyrazol-3-yl)-3-phenylurea
CID 2808767
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808768
N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
1-(3-Bromophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808860
N-(4-chlorophenyl)-2-(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)-2-methyl-1-hydrazinecarboxamide
CID 1478272
1-(2,4-Dichlorophenyl)-3-(1-methyl-3-pyrazolyl)urea
CID 970792
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-(4-chlorophenyl)urea
CID 2818792
1-(4-Bromo-1-methylpyrazol-5-yl)-3-phenylurea
CID 2808836
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879
N-(3-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5-yl)urea
CID 2808886

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea (CID 2808947) is 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea is Cn1ncc(Br)c1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea?
The InChIKey is FBXPJUUKCUEZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c1-17-10(9(12)6-14-17)16-11(18)15-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,15,16,18).
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea?
1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea has a molecular weight of 329.59 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 2808947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).