1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea

C19H19BrN4O — CID 108813193

IUPAC1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCn1nc(NC(=O)NCCc2ccccc2Br)cc1-c1ccccc1
InChIInChI=1S/C19H19BrN4O/c1-24-17(15-8-3-2-4-9-15)13-18(23-24)22-19(25)21-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H2,21,22,23,25)
InChIKeyOYIHFMIVBWYXQN-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.21
Rot. Bonds5

About 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea

1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea (PubChem CID 108813193) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
PubChem CID108813193
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea
SMILESCn1nc(NC(=O)NCCc2ccccc2Br)cc1-c1ccccc1
InChIInChI=1S/C19H19BrN4O/c1-24-17(15-8-3-2-4-9-15)13-18(23-24)22-19(25)21-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H2,21,22,23,25)
InChIKeyOYIHFMIVBWYXQN-UHFFFAOYSA-N
XLogP4.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813031
1-(2-cyanoethyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813212
6-[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]hexanoic acid
CID 108812931
1-(2-hydroxypropyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813006
4-[[(1-methyl-5-phenylpyrazol-3-yl)carbamoylamino]methyl]benzoic acid
CID 108813013
1-(3,5-dimethylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813110
1-(4-bromo-3-methylphenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813156
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea (CID 108813193) is 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea is Cn1nc(NC(=O)NCCc2ccccc2Br)cc1-c1ccccc1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
The InChIKey is OYIHFMIVBWYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-24-17(15-8-3-2-4-9-15)13-18(23-24)22-19(25)21-12-11-14-7-5-6-10-16(14)20/h2-10,13H,11-12H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea?
1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea has a molecular weight of 399.29 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethyl]-3-(1-methyl-5-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 108813193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).