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

C18H15F3N4O2 — CID 2815273

IUPAC1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(11-15(24-25)12-5-3-2-4-6-12)23-17(26)22-13-7-9-14(10-8-13)27-18(19,20)21/h2-11H,1H3,(H2,22,23,26)
InChIKeyQRFJJMYUJGCKNG-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.63
Rot. Bonds4

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

1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 2815273) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID2815273
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O2/c1-25-16(11-15(24-25)12-5-3-2-4-6-12)23-17(26)22-13-7-9-14(10-8-13)27-18(19,20)21/h2-11H,1H3,(H2,22,23,26)
InChIKeyQRFJJMYUJGCKNG-UHFFFAOYSA-N
XLogP4.63
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 2815273) is 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea is Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is QRFJJMYUJGCKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25-16(11-15(24-25)12-5-3-2-4-6-12)23-17(26)22-13-7-9-14(10-8-13)27-18(19,20)21/h2-11H,1H3,(H2,22,23,26).
What are the key properties of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 376.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 2815273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).