pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C19H11F3N4O — CID 13475971

IUPACpyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1ccncc1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIInChI=1S/C19H11F3N4O/c20-19(21,22)14-3-1-2-13(10-14)16-6-9-24-18-15(11-25-26(16)18)17(27)12-4-7-23-8-5-12/h1-11H
InChIKeyGKBXDFXAZQWLAI-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.04
Rot. Bonds3

About pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone

pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 13475971) has the molecular formula C19H11F3N4O and a molecular weight of 368.32 g/mol. Its IUPAC name is pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID13475971
Molecular FormulaC19H11F3N4O
Molecular Weight368.32 g/mol
Exact Mass368.09
IUPAC Namepyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESO=C(c1ccncc1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12
InChIInChI=1S/C19H11F3N4O/c20-19(21,22)14-3-1-2-13(10-14)16-6-9-24-18-15(11-25-26(16)18)17(27)12-4-7-23-8-5-12/h1-11H
InChIKeyGKBXDFXAZQWLAI-UHFFFAOYSA-N
XLogP4.04
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 13475971) is pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone is O=C(c1ccncc1)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12.
What is the InChIKey of pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is GKBXDFXAZQWLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O/c20-19(21,22)14-3-1-2-13(10-14)16-6-9-24-18-15(11-25-26(16)18)17(27)12-4-7-23-8-5-12/h1-11H.
What are the key properties of pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 368.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 13475971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).