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

C10H11F3N4 — CID 84728422

IUPAC3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
SMILESNCCCc1cc2ncc(C(F)(F)F)cn2n1
InChIInChI=1S/C10H11F3N4/c11-10(12,13)7-5-15-9-4-8(2-1-3-14)16-17(9)6-7/h4-6H,1-3,14H2
InChIKeyDVEDPMBBYSHOAQ-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.64
Rot. Bonds3

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

3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine (PubChem CID 84728422) 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-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
PubChem CID84728422
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine
SMILESNCCCc1cc2ncc(C(F)(F)F)cn2n1
InChIInChI=1S/C10H11F3N4/c11-10(12,13)7-5-15-9-4-8(2-1-3-14)16-17(9)6-7/h4-6H,1-3,14H2
InChIKeyDVEDPMBBYSHOAQ-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

Istisociclib
CID 146502834
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2736143
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
8-Pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321947
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
CID 53325935
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653

Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine (CID 84728422) is 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine is NCCCc1cc2ncc(C(F)(F)F)cn2n1.
What is the InChIKey of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
The InChIKey is DVEDPMBBYSHOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c11-10(12,13)7-5-15-9-4-8(2-1-3-14)16-17(9)6-7/h4-6H,1-3,14H2.
What are the key properties of 3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]propan-1-amine?
3-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-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-2-yl]propan-1-amine is sourced from PubChem (CID 84728422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).