1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C18H17BrN4O — CID 108813156

IUPAC1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)ccc1Br
InChIInChI=1S/C18H17BrN4O/c1-12-10-14(8-9-15(12)19)20-18(24)21-17-11-16(23(2)22-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,20,21,22,24)
InChIKeySCEPXUNSPQOAJV-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.80
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108813156) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108813156
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)ccc1Br
InChIInChI=1S/C18H17BrN4O/c1-12-10-14(8-9-15(12)19)20-18(24)21-17-11-16(23(2)22-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,20,21,22,24)
InChIKeySCEPXUNSPQOAJV-UHFFFAOYSA-N
XLogP4.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813193
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813006
1-(1-methyl-5-phenylpyrazol-3-yl)-3-(2-nitrophenyl)urea
CID 108812854
2-[(4-bromo-3-methylphenyl)carbamoylamino]benzoic acid
CID 63548637
4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108813013
1-(3,4-dimethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812650
1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
CID 47194369
N-(4-bromo-3-methylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110685830
1-(4-bromo-3-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797464

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108813156) is 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2cc(-c3ccccc3)n(C)n2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is SCEPXUNSPQOAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c1-12-10-14(8-9-15(12)19)20-18(24)21-17-11-16(23(2)22-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 385.27 g/mol, XLogP of 4.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108813156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).