1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea

C24H18ClF3N4O2 — CID 10128104

IUPAC1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea
SMILESCn1ncc(-c2ccc(OC(F)(F)F)cc2)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H18ClF3N4O2/c1-32-22(21(14-29-32)15-5-11-20(12-6-15)34-24(26,27)28)16-3-2-4-19(13-16)31-23(33)30-18-9-7-17(25)8-10-18/h2-14H,1H3,(H2,30,31,33)
InChIKeyGOXPCACTOIXOMS-UHFFFAOYSA-N
MW486.88 g/mol
LogP6.95
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea

1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea (PubChem CID 10128104) has the molecular formula C24H18ClF3N4O2 and a molecular weight of 486.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea
PubChem CID10128104
Molecular FormulaC24H18ClF3N4O2
Molecular Weight486.88 g/mol
Exact Mass486.11
IUPAC Name1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea
SMILESCn1ncc(-c2ccc(OC(F)(F)F)cc2)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H18ClF3N4O2/c1-32-22(21(14-29-32)15-5-11-20(12-6-15)34-24(26,27)28)16-3-2-4-19(13-16)31-23(33)30-18-9-7-17(25)8-10-18/h2-14H,1H3,(H2,30,31,33)
InChIKeyGOXPCACTOIXOMS-UHFFFAOYSA-N
XLogP6.95
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.88
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea (CID 10128104) is 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea is Cn1ncc(-c2ccc(OC(F)(F)F)cc2)c1-c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea?
The InChIKey is GOXPCACTOIXOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4O2/c1-32-22(21(14-29-32)15-5-11-20(12-6-15)34-24(26,27)28)16-3-2-4-19(13-16)31-23(33)30-18-9-7-17(25)8-10-18/h2-14H,1H3,(H2,30,31,33).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea?
1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea has a molecular weight of 486.88 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[1-methyl-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]phenyl]urea is sourced from PubChem (CID 10128104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).