2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one

C15H10F3N3O — CID 155577591

IUPAC2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
SMILESO=C1CC(c2ccc(C(F)(F)F)cc2)=NN1c1ccccn1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)11-6-4-10(5-7-11)12-9-14(22)21(20-12)13-3-1-2-8-19-13/h1-8H,9H2
InChIKeyHYMVCDGPPOAVAW-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.24
Rot. Bonds2

About 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one

2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one (PubChem CID 155577591) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
PubChem CID155577591
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one
SMILESO=C1CC(c2ccc(C(F)(F)F)cc2)=NN1c1ccccn1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)11-6-4-10(5-7-11)12-9-14(22)21(20-12)13-3-1-2-8-19-13/h1-8H,9H2
InChIKeyHYMVCDGPPOAVAW-UHFFFAOYSA-N
XLogP3.24
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one?
The IUPAC name of 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one (CID 155577591) is 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one.
What is the SMILES notation for 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one?
The canonical SMILES for 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one is O=C1CC(c2ccc(C(F)(F)F)cc2)=NN1c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one?
The InChIKey is HYMVCDGPPOAVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)11-6-4-10(5-7-11)12-9-14(22)21(20-12)13-3-1-2-8-19-13/h1-8H,9H2.
What are the key properties of 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one?
2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one has a molecular weight of 305.26 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-pyrazol-3-one is sourced from PubChem (CID 155577591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).