1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine

C10H11F3N4 — CID 84728419

IUPAC1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
SMILESCC(N)Cc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H11F3N4/c1-6(14)2-7-3-16-17-5-8(10(11,12)13)4-15-9(7)17/h3-6H,2,14H2,1H3
InChIKeyXFOYEURSFZDRAF-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.64
Rot. Bonds2

About 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine

1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine (PubChem CID 84728419) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
PubChem CID84728419
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine
SMILESCC(N)Cc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H11F3N4/c1-6(14)2-7-3-16-17-5-8(10(11,12)13)4-15-9(7)17/h3-6H,2,14H2,1H3
InChIKeyXFOYEURSFZDRAF-UHFFFAOYSA-N
XLogP1.64
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
6-Butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 87740784
2-Piperazin-1-yl-3-(2,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810595
2-Piperazin-1-yl-3-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810597
6-butan-2-yl-5-chloro-3-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 136622270
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141150483
2-propyl-N-(3,3,3-trifluoropropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 141189456
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141267635
N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142791630
2-(1-Methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 142794012

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine?
The IUPAC name of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine (CID 84728419) is 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine?
The canonical SMILES for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine is CC(N)Cc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine?
The InChIKey is XFOYEURSFZDRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-6(14)2-7-3-16-17-5-8(10(11,12)13)4-15-9(7)17/h3-6H,2,14H2,1H3.
What are the key properties of 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine?
1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine has a molecular weight of 244.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-amine is sourced from PubChem (CID 84728419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).