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

C10H11F3N4 — CID 84728421

IUPAC3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
SMILESNCCCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H11F3N4/c11-10(12,13)8-5-15-9-7(2-1-3-14)4-16-17(9)6-8/h4-6H,1-3,14H2
InChIKeyMKFXHMPCRKMCBP-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.64
Rot. Bonds3

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

3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine (PubChem CID 84728421) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
PubChem CID84728421
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
SMILESNCCCc1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H11F3N4/c11-10(12,13)8-5-15-9-7(2-1-3-14)4-16-17(9)6-8/h4-6H,1-3,14H2
InChIKeyMKFXHMPCRKMCBP-UHFFFAOYSA-N
XLogP1.64
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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
5-ethyl-N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50976962
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
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
2-Piperazin-1-yl-3-(1,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 89811449
2-Piperazin-1-yl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 89811450
3-(4-Aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)-1,1-difluoropropan-2-ol
CID 130427368
3-(1,1,2-Trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 139608471
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine?
The IUPAC name of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine (CID 84728421) is 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine?
The canonical SMILES for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine is NCCCc1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine?
The InChIKey is MKFXHMPCRKMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c11-10(12,13)8-5-15-9-7(2-1-3-14)4-16-17(9)6-8/h4-6H,1-3,14H2.
What are the key properties of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine?
3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine has a molecular weight of 244.22 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine is sourced from PubChem (CID 84728421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).