3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C14H15F3N4 — CID 171533004

IUPAC3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnc2c(CC3CC4(CNC4)C3)cnn2c1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-5-19-12-10(4-20-21(12)6-11)1-9-2-13(3-9)7-18-8-13/h4-6,9,18H,1-3,7-8H2
InChIKeyTUBIMEVBKHNVQC-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.29
Rot. Bonds2

About 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 171533004) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID171533004
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cnc2c(CC3CC4(CNC4)C3)cnn2c1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-5-19-12-10(4-20-21(12)6-11)1-9-2-13(3-9)7-18-8-13/h4-6,9,18H,1-3,7-8H2
InChIKeyTUBIMEVBKHNVQC-UHFFFAOYSA-N
XLogP2.29
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141150483
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
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 170784833
6-(2-Azaspiro[3.5]nonan-7-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170784969
6-(7-Azaspiro[3.5]nonan-2-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170784997
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170785032
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170785052
3-(2-Azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 171533112
3-(2-Azaspiro[3.3]heptan-6-ylmethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 171533309
N-(methylamino)-N-[2-[4-[[6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-1-carbonyl]-2-azaspiro[3.3]heptan-6-yl]methanimidamide
CID 174285565

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 171533004) is 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cnc2c(CC3CC4(CNC4)C3)cnn2c1.
What is the InChIKey of 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is TUBIMEVBKHNVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)11-5-19-12-10(4-20-21(12)6-11)1-9-2-13(3-9)7-18-8-13/h4-6,9,18H,1-3,7-8H2.
What are the key properties of 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 296.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171533004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).