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

C8H6F3N3O — CID 104621521

IUPAC3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c[nH]n2c(=O)cc(C(F)(F)F)nc12
InChIInChI=1S/C8H6F3N3O/c1-4-3-12-14-6(15)2-5(8(9,10)11)13-7(4)14/h2-3,12H,1H3
InChIKeyXJBSYJNPJWFBFQ-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.35
Rot. Bonds

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

3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 104621521) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID104621521
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c[nH]n2c(=O)cc(C(F)(F)F)nc12
InChIInChI=1S/C8H6F3N3O/c1-4-3-12-14-6(15)2-5(8(9,10)11)13-7(4)14/h2-3,12H,1H3
InChIKeyXJBSYJNPJWFBFQ-UHFFFAOYSA-N
XLogP1.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 104621521) is 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1c[nH]n2c(=O)cc(C(F)(F)F)nc12.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XJBSYJNPJWFBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-4-3-12-14-6(15)2-5(8(9,10)11)13-7(4)14/h2-3,12H,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 217.15 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 104621521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).