N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

C10H11F3N4 — CID 84728420

IUPACN-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESCNC(C)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H11F3N4/c1-6(14-2)8-4-16-17-5-7(10(11,12)13)3-15-9(8)17/h3-6,14H,1-2H3
InChIKeyXCIVLLDSNUBQMB-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.03
Rot. Bonds2

About N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine

N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (PubChem CID 84728420) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
PubChem CID84728420
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC NameN-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
SMILESCNC(C)c1cnn2cc(C(F)(F)F)cnc12
InChIInChI=1S/C10H11F3N4/c1-6(14-2)8-4-16-17-5-7(10(11,12)13)3-15-9(8)17/h3-6,14H,1-2H3
InChIKeyXCIVLLDSNUBQMB-UHFFFAOYSA-N
XLogP2.03
TPSA42.22 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine
CID 83128144
1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine
CID 84717800
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117195462
6-tert-butylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 83917493
2-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 18342612
(1R)-N-methyl-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanamine
CID 163383034
1-(6-chloropyrazolo[1,5-a]pyrimidin-3-yl)-N-methylpropan-2-amine
CID 84725629
4-[[(6-cyclopropylpyrazolo[1,5-a]pyrimidin-3-yl)-hydroxymethyl]amino]-4-[5-(trifluoromethyl)-2-pyridinyl]oxan-3-ol
CID 134511720
1-(1-tert-butyl-5-propylpyrazol-4-yl)-N-methylethanamine
CID 105481359
ethane;2-methyl-2-(3-methylpyrazolo[1,5-a]pyrimidin-6-yl)propanenitrile
CID 155727279

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine (CID 84728420) is N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is CNC(C)c1cnn2cc(C(F)(F)F)cnc12.
What is the InChIKey of N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
The InChIKey is XCIVLLDSNUBQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-6(14-2)8-4-16-17-5-7(10(11,12)13)3-15-9(8)17/h3-6,14H,1-2H3.
What are the key properties of N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine?
N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine has a molecular weight of 244.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine is sourced from PubChem (CID 84728420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).