2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one

C19H17F3N2O — CID 12813207

IUPAC2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
SMILESCCCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17F3N2O/c1-2-11-23-13-17(14-7-6-8-15(12-14)19(20,21)22)18(25)24(23)16-9-4-3-5-10-16/h3-10,12-13H,2,11H2,1H3
InChIKeyJDUQNXPAUFMWBK-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.73
Rot. Bonds4

About 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one

2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one (PubChem CID 12813207) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one.

Molecular Properties

Compound Name2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
PubChem CID12813207
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
SMILESCCCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17F3N2O/c1-2-11-23-13-17(14-7-6-8-15(12-14)19(20,21)22)18(25)24(23)16-9-4-3-5-10-16/h3-10,12-13H,2,11H2,1H3
InChIKeyJDUQNXPAUFMWBK-UHFFFAOYSA-N
XLogP4.73
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The IUPAC name of 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one (CID 12813207) is 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one.
What is the SMILES notation for 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The canonical SMILES for 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one is CCCn1cc(-c2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The InChIKey is JDUQNXPAUFMWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-2-11-23-13-17(14-7-6-8-15(12-14)19(20,21)22)18(25)24(23)16-9-4-3-5-10-16/h3-10,12-13H,2,11H2,1H3.
What are the key properties of 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one has a molecular weight of 346.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-propyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one is sourced from PubChem (CID 12813207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).