[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

C18H15F3N4O — CID 57335076

IUPAC[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C18H15F3N4O/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-25(15)14-8-6-13(7-9-14)23-17(22)26/h2-10H,1H3,(H3,22,23,26)
InChIKeyWYNPTHBSKJGPSD-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.36
Rot. Bonds3

About [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea

[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea (PubChem CID 57335076) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea.

Molecular Properties

Compound Name[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
PubChem CID57335076
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NC(N)=O)cc2)cc1
InChIInChI=1S/C18H15F3N4O/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-25(15)14-8-6-13(7-9-14)23-17(22)26/h2-10H,1H3,(H3,22,23,26)
InChIKeyWYNPTHBSKJGPSD-UHFFFAOYSA-N
XLogP4.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
N-(3,5-dimethylphenyl)-N'-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}urea
CID 2812810
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1-(4-Azido-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-pyrazole
CID 10472597
1-(4-Azido-phenyl)-3-p-tolyl-5-trifluoromethyl-1H-pyrazole
CID 10914865
[4-[2-(2,6-diethylphenyl)-5-[[4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296710
[4-[2-(2,6-diethylphenyl)-5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296837
[4-[2-(2,6-diethylphenyl)-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296881
1-[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]-3-phenylurea
CID 26743422
4-[5-(4-Methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbothioamide
CID 71727432

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The IUPAC name of [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea (CID 57335076) is [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea.
What is the SMILES notation for [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The canonical SMILES for [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NC(N)=O)cc2)cc1.
What is the InChIKey of [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
The InChIKey is WYNPTHBSKJGPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-25(15)14-8-6-13(7-9-14)23-17(22)26/h2-10H,1H3,(H3,22,23,26).
What are the key properties of [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea?
[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea has a molecular weight of 360.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]urea is sourced from PubChem (CID 57335076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).