1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea

C24H19F3N4O3 — CID 24959760

IUPAC1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H19F3N4O3/c1-16-15-22(31(30-16)18-7-3-2-4-8-18)33-21-10-6-5-9-20(21)29-23(32)28-17-11-13-19(14-12-17)34-24(25,26)27/h2-15H,1H3,(H2,28,29,32)
InChIKeyWVNKHFPCJFKWEO-UHFFFAOYSA-N
MW468.44 g/mol
LogP6.52
Rot. Bonds6

About 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea

1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 24959760) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID24959760
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C24H19F3N4O3/c1-16-15-22(31(30-16)18-7-3-2-4-8-18)33-21-10-6-5-9-20(21)29-23(32)28-17-11-13-19(14-12-17)34-24(25,26)27/h2-15H,1H3,(H2,28,29,32)
InChIKeyWVNKHFPCJFKWEO-UHFFFAOYSA-N
XLogP6.52
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.44
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Cyclohexylphenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea
CID 24743975
Gtpl-5804
CID 24958668
1-[2-[2-(2-Ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24958669
1-[2-[2-(3-Chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24959030
1-[2-[5-Methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24959031
1-[2-[2-(4-Chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24959398
1-[2-[2-(2-Ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-propan-2-ylphenyl)urea
CID 24960131
1-[2-[2-(2-Ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24960132
1-[2-[5-Methyl-2-(2-propan-2-ylphenyl)pyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 24960493
1-[2-(5-methyl-2-o-tolyl-2H-pyrazol-3-yloxy)-phenyl]-3-(4-trifluoromethoxy-phenyl)-urea
CID 25099564
1-(4-Chlorophenyl)-3-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea
CID 44449077
1-[2-[2-(2-Ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-propan-2-yloxyphenyl)urea
CID 44449103

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 24959760) is 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea is Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is WVNKHFPCJFKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-16-15-22(31(30-16)18-7-3-2-4-8-18)33-21-10-6-5-9-20(21)29-23(32)28-17-11-13-19(14-12-17)34-24(25,26)27/h2-15H,1H3,(H2,28,29,32).
What are the key properties of 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 468.44 g/mol, XLogP of 6.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2-phenylpyrazol-3-yl)oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 24959760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).