[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine

C8H7F3N4 — CID 82271994

IUPAC[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
SMILESNCc1c(C(F)(F)F)nn2cccnc12
InChIInChI=1S/C8H7F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h1-3H,4,12H2
InChIKeyNSGOESDOGKOVAD-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.21
Rot. Bonds1

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

[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine (PubChem CID 82271994) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
PubChem CID82271994
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
SMILESNCc1c(C(F)(F)F)nn2cccnc12
InChIInChI=1S/C8H7F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h1-3H,4,12H2
InChIKeyNSGOESDOGKOVAD-UHFFFAOYSA-N
XLogP1.21
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)methanamine
CID 82271992
2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 69058450
(2-tert-butylpyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 82271914
[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine
CID 82272012
2,3-ditert-butylpyrazolo[1,5-a]pyrimidine
CID 71288912
(2-propan-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 82271913
[1-methyl-5-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82482177
(2S)-1-[2-fluoro-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenoxy]-2,4-dimethylpentan-2-amine
CID 152526208
2-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamine
CID 82272264
2-[2-(3,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetonitrile
CID 82272140
2-propylpyrazolo[1,5-a]pyrimidin-3-amine
CID 115014726
(2-cyclobutylpyrazolo[1,5-a]pyrimidin-3-yl)methanethiol
CID 82272076

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine (CID 82271994) is [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine is NCc1c(C(F)(F)F)nn2cccnc12.
What is the InChIKey of [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
The InChIKey is NSGOESDOGKOVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c9-8(10,11)6-5(4-12)7-13-2-1-3-15(7)14-6/h1-3H,4,12H2.
What are the key properties of [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine?
[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine has a molecular weight of 216.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanamine is sourced from PubChem (CID 82271994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).