1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea

C24H19ClF3N5O4S — CID 155813704

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
SMILESCOc1ccc(-c2c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H19ClF3N5O4S/c1-37-17-7-2-14(3-8-17)22-21(13-30-33(22)16-5-9-18(10-6-16)38(29,35)36)32-23(34)31-15-4-11-20(25)19(12-15)24(26,27)28/h2-13H,1H3,(H2,29,35,36)(H2,31,32,34)
InChIKeyIAGLNMAIIBVBIG-UHFFFAOYSA-N
MW565.96 g/mol
LogP5.51
Rot. Bonds6

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea (PubChem CID 155813704) has the molecular formula C24H19ClF3N5O4S and a molecular weight of 565.96 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
PubChem CID155813704
Molecular FormulaC24H19ClF3N5O4S
Molecular Weight565.96 g/mol
Exact Mass565.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea
SMILESCOc1ccc(-c2c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H19ClF3N5O4S/c1-37-17-7-2-14(3-8-17)22-21(13-30-33(22)16-5-9-18(10-6-16)38(29,35)36)32-23(34)31-15-4-11-20(25)19(12-15)24(26,27)28/h2-13H,1H3,(H2,29,35,36)(H2,31,32,34)
InChIKeyIAGLNMAIIBVBIG-UHFFFAOYSA-N
XLogP5.51
TPSA128.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.96
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]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-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea (CID 155813704) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea is COc1ccc(-c2c(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cnn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
The InChIKey is IAGLNMAIIBVBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O4S/c1-37-17-7-2-14(3-8-17)22-21(13-30-33(22)16-5-9-18(10-6-16)38(29,35)36)32-23(34)31-15-4-11-20(25)19(12-15)24(26,27)28/h2-13H,1H3,(H2,29,35,36)(H2,31,32,34).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea has a molecular weight of 565.96 g/mol, XLogP of 5.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea is sourced from PubChem (CID 155813704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).