1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea

C25H22BrClN4O2 — CID 143265423

IUPAC1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea
SMILESCc1ccc(COc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2c(Br)cnn2C)cc1
InChIInChI=1S/C25H22BrClN4O2/c1-16-3-5-17(6-4-16)15-33-23-12-11-20(13-21(23)24-22(26)14-28-31(24)2)30-25(32)29-19-9-7-18(27)8-10-19/h3-14H,15H2,1-2H3,(H2,29,30,32)
InChIKeyIPRMVRANELLIDB-UHFFFAOYSA-N
MW525.83 g/mol
LogP7.03
Rot. Bonds6

About 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea

1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea (PubChem CID 143265423) has the molecular formula C25H22BrClN4O2 and a molecular weight of 525.83 g/mol. Its IUPAC name is 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea
PubChem CID143265423
Molecular FormulaC25H22BrClN4O2
Molecular Weight525.83 g/mol
Exact Mass524.06
IUPAC Name1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea
SMILESCc1ccc(COc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2c(Br)cnn2C)cc1
InChIInChI=1S/C25H22BrClN4O2/c1-16-3-5-17(6-4-16)15-33-23-12-11-20(13-21(23)24-22(26)14-28-31(24)2)30-25(32)29-19-9-7-18(27)8-10-19/h3-14H,15H2,1-2H3,(H2,29,30,32)
InChIKeyIPRMVRANELLIDB-UHFFFAOYSA-N
XLogP7.03
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.83
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyridin-4-ylethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 11548218
1-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-(4-chlorophenyl)urea
CID 66928386
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-hydroxyphenyl]-3-(4-chlorophenyl)urea;1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-chlorophenyl)urea
CID 159161626
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(4-chloro-2-hydroxyphenyl)urea
CID 23139514
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-ethoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 91217921
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]-3-(4-chlorophenyl)urea
CID 11619867
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
CID 11775306
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[4-chloro-2-[3-(dimethylamino)propyl-methylamino]phenyl]urea
CID 23139498
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-4-chlorobenzamide
CID 66928715
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(4-methoxyphenyl)methylamino]acetamide
CID 24815312
1-[3-(4-bromo-1-methylpyrazol-5-yl)-5-fluorophenyl]-3-(4-chlorophenyl)urea
CID 10287909

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea (CID 143265423) is 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea is Cc1ccc(COc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2-c2c(Br)cnn2C)cc1.
What is the InChIKey of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is IPRMVRANELLIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrClN4O2/c1-16-3-5-17(6-4-16)15-33-23-12-11-20(13-21(23)24-22(26)14-28-31(24)2)30-25(32)29-19-9-7-18(27)8-10-19/h3-14H,15H2,1-2H3,(H2,29,30,32).
What are the key properties of 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea?
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 525.83 g/mol, XLogP of 7.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[(4-methylphenyl)methoxy]phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 143265423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).