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

C14H15F3N4 — CID 170785032

IUPAC6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncc(CC3CC4(CNC4)C3)cn2n1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-2-12-19-5-10(6-21(12)20-11)1-9-3-13(4-9)7-18-8-13/h2,5-6,9,18H,1,3-4,7-8H2
InChIKeyGNFCYJRCFMFWKZ-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.29
Rot. Bonds2

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

6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 170785032) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID170785032
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncc(CC3CC4(CNC4)C3)cn2n1
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-2-12-19-5-10(6-21(12)20-11)1-9-3-13(4-9)7-18-8-13/h2,5-6,9,18H,1,3-4,7-8H2
InChIKeyGNFCYJRCFMFWKZ-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

6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane
CID 162745967
6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 170785120
5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
CID 170784695
2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 82270949
6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine;4-methylbenzenesulfonic acid
CID 170785116
2-(2-azaspiro[3.3]heptan-6-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 170785098
6-[[5-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane
CID 170785065
[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]-methylidene-oxo-(trifluoromethyl)-λ6-sulfane
CID 177182594
6-[[6-(1,1-difluoroethyl)pyridazin-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 169105363
N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 90974286
6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
CID 175711466
5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 169104879

Frequently Asked Questions

What is the IUPAC name of 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 170785032) is 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc2ncc(CC3CC4(CNC4)C3)cn2n1.
What is the InChIKey of 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GNFCYJRCFMFWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)11-2-12-19-5-10(6-21(12)20-11)1-9-3-13(4-9)7-18-8-13/h2,5-6,9,18H,1,3-4,7-8H2.
What are the key properties of 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(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 6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170785032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).