3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C14H15F3N4 — CID 171533112

IUPAC3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccnc2c(CC3CC4(CNC4)C3)cnn12
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-1-2-19-12-10(6-20-21(11)12)3-9-4-13(5-9)7-18-8-13/h1-2,6,9,18H,3-5,7-8H2
InChIKeyPVOFERMVEQNLOU-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.29
Rot. Bonds2

About 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 171533112) 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)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID171533112
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccnc2c(CC3CC4(CNC4)C3)cnn12
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-1-2-19-12-10(6-20-21(11)12)3-9-4-13(5-9)7-18-8-13/h1-2,6,9,18H,3-5,7-8H2
InChIKeyPVOFERMVEQNLOU-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

trans-(1S,3S)-3-N-[5-[(3,3-difluorocyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409753
4-Methyl-6-[5-(trifluoromethyl)-4,5,6,7-tetra-hydro-2h-indazol-2-yl]pyrimidin-2-amine
CID 129749248
4-(5-Difluoromethyl-4,5,6,7-tetrahydro-2h-indazol-2-yl)-6-methylpyrimidin-2-amine
CID 129749291
2,6,7,12-Tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 67456845
7-Piperidin-4-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95798334
2-Tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 23244369
8-(3,3-Difluoroazetidin-1-yl)-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 68067741
5-butan-2-yl-6-ethyl-2-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 68952606
2-[1-(Trifluoromethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine
CID 140296018
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141150483
2-Fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine
CID 156563501
11-Fluorospiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]
CID 164599933

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 171533112) is 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccnc2c(CC3CC4(CNC4)C3)cnn12.
What is the InChIKey of 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PVOFERMVEQNLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)11-1-2-19-12-10(6-20-21(11)12)3-9-4-13(5-9)7-18-8-13/h1-2,6,9,18H,3-5,7-8H2.
What are the key properties of 3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-(2-azaspiro[3.3]heptan-6-ylmethyl)-7-(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)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 171533112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).