1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea

C24H17ClF4N4O3 — CID 24960494

IUPAC1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C24H17ClF4N4O3/c1-14-12-22(33(32-14)20-11-6-15(26)13-18(20)25)35-21-5-3-2-4-19(21)31-23(34)30-16-7-9-17(10-8-16)36-24(27,28)29/h2-13H,1H3,(H2,30,31,34)
InChIKeyQZHMITYLUZWBPC-UHFFFAOYSA-N
MW520.87 g/mol
LogP7.31
Rot. Bonds6

About 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 24960494) has the molecular formula C24H17ClF4N4O3 and a molecular weight of 520.87 g/mol. Its IUPAC name is 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID24960494
Molecular FormulaC24H17ClF4N4O3
Molecular Weight520.87 g/mol
Exact Mass520.09
IUPAC Name1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C24H17ClF4N4O3/c1-14-12-22(33(32-14)20-11-6-15(26)13-18(20)25)35-21-5-3-2-4-19(21)31-23(34)30-16-7-9-17(10-8-16)36-24(27,28)29/h2-13H,1H3,(H2,30,31,34)
InChIKeyQZHMITYLUZWBPC-UHFFFAOYSA-N
XLogP7.31
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.87
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)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-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 24960494) is 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea is Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is QZHMITYLUZWBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF4N4O3/c1-14-12-22(33(32-14)20-11-6-15(26)13-18(20)25)35-21-5-3-2-4-19(21)31-23(34)30-16-7-9-17(10-8-16)36-24(27,28)29/h2-13H,1H3,(H2,30,31,34).
What are the key properties of 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 520.87 g/mol, XLogP of 7.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chloro-4-fluorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 24960494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).