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

C18H15F3N4O2 — CID 25224892

IUPAC1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(-c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-27-14-7-5-11(6-8-14)15-10-16(25-24-15)23-17(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-10H,1H3,(H3,22,23,24,25,26)
InChIKeyXLLLIXPLKFORDL-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.75
Rot. Bonds4

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

1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 25224892) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID25224892
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(-c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1
InChIInChI=1S/C18H15F3N4O2/c1-27-14-7-5-11(6-8-14)15-10-16(25-24-15)23-17(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-10H,1H3,(H3,22,23,24,25,26)
InChIKeyXLLLIXPLKFORDL-UHFFFAOYSA-N
XLogP4.75
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea (CID 25224892) is 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is COc1ccc(-c2cc(NC(=O)Nc3cccc(C(F)(F)F)c3)n[nH]2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is XLLLIXPLKFORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-27-14-7-5-11(6-8-14)15-10-16(25-24-15)23-17(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-10H,1H3,(H3,22,23,24,25,26).
What are the key properties of 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 376.34 g/mol, XLogP of 4.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 25224892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).