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

C24H17Cl2F3N4O3 — CID 24959401

IUPAC1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H17Cl2F3N4O3/c1-14-12-22(33(32-14)20-11-6-15(25)13-18(20)26)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)
InChIKeyHINOAJXPQAAHEB-UHFFFAOYSA-N
MW537.33 g/mol
LogP7.82
Rot. Bonds6

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

1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 24959401) has the molecular formula C24H17Cl2F3N4O3 and a molecular weight of 537.33 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID24959401
Molecular FormulaC24H17Cl2F3N4O3
Molecular Weight537.33 g/mol
Exact Mass536.06
IUPAC Name1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C24H17Cl2F3N4O3/c1-14-12-22(33(32-14)20-11-6-15(25)13-18(20)26)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)
InChIKeyHINOAJXPQAAHEB-UHFFFAOYSA-N
XLogP7.82
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.33
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-3-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]urea
CID 59830865
CID 89232111
CID 89232111
tert-butyl 4-[4-[[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]carbamoylamino]phenyl]piperidine-1-carboxylate
CID 69240648
1-[2-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-piperidin-1-ylphenyl)urea
CID 59830862
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155
1-[2-(4-methylphenyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71228197
1-[2-(trifluoromethoxy)phenyl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea
CID 118675094
1-(2-chlorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]urea
CID 122310417
1-[2-[2-(2-methoxypropan-2-yl)phenoxy]-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68529987
1-[2-(2-ethenylphenoxy)-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68533124
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122310680

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 24959401) is 1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea is Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is HINOAJXPQAAHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N4O3/c1-14-12-22(33(32-14)20-11-6-15(25)13-18(20)26)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-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea?
1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 537.33 g/mol, XLogP of 7.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 24959401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).