1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone

C13H11F3N2O2 — CID 162378403

IUPAC1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C13H11F3N2O2/c1-8(19)9-3-5-10(6-4-9)18-12(20-2)7-11(17-18)13(14,15)16/h3-7H,1-2H3
InChIKeyNNIDRZQAUOBDBG-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.10
Rot. Bonds3

About 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone

1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone (PubChem CID 162378403) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
PubChem CID162378403
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C13H11F3N2O2/c1-8(19)9-3-5-10(6-4-9)18-12(20-2)7-11(17-18)13(14,15)16/h3-7H,1-2H3
InChIKeyNNIDRZQAUOBDBG-UHFFFAOYSA-N
XLogP3.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone (CID 162378403) is 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone is COc1cc(C(F)(F)F)nn1-c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
The InChIKey is NNIDRZQAUOBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-8(19)9-3-5-10(6-4-9)18-12(20-2)7-11(17-18)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone?
1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone has a molecular weight of 284.24 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 162378403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).