3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H7F6N3O — CID 2810973

IUPAC3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C14H7F6N3O/c15-13(16,17)8-6-9(24)23-12(21-8)10(7-4-2-1-3-5-7)11(22-23)14(18,19)20/h1-6,22H
InChIKeyJKVODKKDOQKVDQ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.73
Rot. Bonds1

About 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 2810973) has the molecular formula C14H7F6N3O and a molecular weight of 347.22 g/mol. Its IUPAC name is 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID2810973
Molecular FormulaC14H7F6N3O
Molecular Weight347.22 g/mol
Exact Mass347.05
IUPAC Name3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C14H7F6N3O/c15-13(16,17)8-6-9(24)23-12(21-8)10(7-4-2-1-3-5-7)11(22-23)14(18,19)20/h1-6,22H
InChIKeyJKVODKKDOQKVDQ-UHFFFAOYSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 2810973) is 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C(F)(F)F)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12.
What is the InChIKey of 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JKVODKKDOQKVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6N3O/c15-13(16,17)8-6-9(24)23-12(21-8)10(7-4-2-1-3-5-7)11(22-23)14(18,19)20/h1-6,22H.
What are the key properties of 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 347.22 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2810973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).