6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

C15H11F3N2O2 — CID 86706661

IUPAC6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1[nH]c(-c2ccc(C(F)(F)F)cc2)cn2c(CO)ccc12
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)10-3-1-9(2-4-10)12-7-20-11(8-21)5-6-13(20)14(22)19-12/h1-7,21H,8H2,(H,19,22)
InChIKeyRFVXDHORRFBKTQ-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.81
Rot. Bonds2

About 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 86706661) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID86706661
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1[nH]c(-c2ccc(C(F)(F)F)cc2)cn2c(CO)ccc12
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)10-3-1-9(2-4-10)12-7-20-11(8-21)5-6-13(20)14(22)19-12/h1-7,21H,8H2,(H,19,22)
InChIKeyRFVXDHORRFBKTQ-UHFFFAOYSA-N
XLogP2.81
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 86706661) is 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)cn2c(CO)ccc12.
What is the InChIKey of 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is RFVXDHORRFBKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)10-3-1-9(2-4-10)12-7-20-11(8-21)5-6-13(20)14(22)19-12/h1-7,21H,8H2,(H,19,22).
What are the key properties of 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one?
6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 308.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-[4-(trifluoromethyl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 86706661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).