3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H14F3N3O — CID 138557271

IUPAC3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C3CC3)c(C(F)(F)F)[nH]n2c(=O)c1-c1ccccc1
InChIInChI=1S/C17H14F3N3O/c1-9-12(10-5-3-2-4-6-10)16(24)23-15(21-9)13(11-7-8-11)14(22-23)17(18,19)20/h2-6,11,22H,7-8H2,1H3
InChIKeyXYSALOQSMHUOMJ-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.89
Rot. Bonds2

About 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 138557271) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID138557271
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C3CC3)c(C(F)(F)F)[nH]n2c(=O)c1-c1ccccc1
InChIInChI=1S/C17H14F3N3O/c1-9-12(10-5-3-2-4-6-10)16(24)23-15(21-9)13(11-7-8-11)14(22-23)17(18,19)20/h2-6,11,22H,7-8H2,1H3
InChIKeyXYSALOQSMHUOMJ-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 138557271) is 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C3CC3)c(C(F)(F)F)[nH]n2c(=O)c1-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XYSALOQSMHUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-9-12(10-5-3-2-4-6-10)16(24)23-15(21-9)13(11-7-8-11)14(22-23)17(18,19)20/h2-6,11,22H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 333.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-6-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 138557271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).