5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H14F3N3O2 — CID 56947859

IUPAC5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(Cc2cccc(OC(F)(F)F)c2)c(C2CC2)nc2cc[nH]n12
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-12-3-1-2-10(8-12)9-13-15(11-4-5-11)22-14-6-7-21-23(14)16(13)24/h1-3,6-8,11,21H,4-5,9H2
InChIKeyYPOPXBGMLYFXDV-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.39
Rot. Bonds4

About 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 56947859) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID56947859
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(Cc2cccc(OC(F)(F)F)c2)c(C2CC2)nc2cc[nH]n12
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-12-3-1-2-10(8-12)9-13-15(11-4-5-11)22-14-6-7-21-23(14)16(13)24/h1-3,6-8,11,21H,4-5,9H2
InChIKeyYPOPXBGMLYFXDV-UHFFFAOYSA-N
XLogP3.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 56947859) is 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(Cc2cccc(OC(F)(F)F)c2)c(C2CC2)nc2cc[nH]n12.
What is the InChIKey of 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YPOPXBGMLYFXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)25-12-3-1-2-10(8-12)9-13-15(11-4-5-11)22-14-6-7-21-23(14)16(13)24/h1-3,6-8,11,21H,4-5,9H2.
What are the key properties of 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 349.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56947859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).