5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H12F3N3OS — CID 66974856

IUPAC5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)n2[nH]c(C(F)(F)F)c(-c3cccs3)c2n1
InChIInChI=1S/C14H12F3N3OS/c1-7(2)8-6-10(21)20-13(18-8)11(9-4-3-5-22-9)12(19-20)14(15,16)17/h3-7,19H,1-2H3
InChIKeyAKMRKWZEGGLCGK-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.89
Rot. Bonds2

About 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 66974856) has the molecular formula C14H12F3N3OS and a molecular weight of 327.33 g/mol. Its IUPAC name is 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID66974856
Molecular FormulaC14H12F3N3OS
Molecular Weight327.33 g/mol
Exact Mass327.07
IUPAC Name5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1cc(=O)n2[nH]c(C(F)(F)F)c(-c3cccs3)c2n1
InChIInChI=1S/C14H12F3N3OS/c1-7(2)8-6-10(21)20-13(18-8)11(9-4-3-5-22-9)12(19-20)14(15,16)17/h3-7,19H,1-2H3
InChIKeyAKMRKWZEGGLCGK-UHFFFAOYSA-N
XLogP3.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-3-thiophen-2-yl-2-(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

Related Compounds

5-tert-butyl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974913
N-[(2-methyl-7-oxo-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90307499
3-(4-methoxyphenyl)-2-methyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 16674607
2-chloro-5-(chloromethyl)-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974610
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274071
3-(3,4-dimethoxyphenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 87222233
5-(chloromethyl)-3-naphthalen-1-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 51356808
N-[(1S)-1-(7-oxo-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]cyclohexanecarboxamide
CID 98137785
3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973840
5-(1-methyl-5-oxopyrrolidin-3-yl)-3-(4-methylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973436
1-[(2R)-butan-2-yl]-2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090549
5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273517

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 66974856) is 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)c1cc(=O)n2[nH]c(C(F)(F)F)c(-c3cccs3)c2n1.
What is the InChIKey of 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AKMRKWZEGGLCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3OS/c1-7(2)8-6-10(21)20-13(18-8)11(9-4-3-5-22-9)12(19-20)14(15,16)17/h3-7,19H,1-2H3.
What are the key properties of 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 327.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66974856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).