1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine

C14H11F3N4 — CID 150874937

IUPAC1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine
SMILESCC(c1ccc(C(F)(F)F)cc1)n1ncc2cncnc21
InChIInChI=1S/C14H11F3N4/c1-9(10-2-4-12(5-3-10)14(15,16)17)21-13-11(7-20-21)6-18-8-19-13/h2-9H,1H3
InChIKeyKUUNYXIDBYNXJX-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.45
Rot. Bonds2

About 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine

1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 150874937) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine
PubChem CID150874937
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine
SMILESCC(c1ccc(C(F)(F)F)cc1)n1ncc2cncnc21
InChIInChI=1S/C14H11F3N4/c1-9(10-2-4-12(5-3-10)14(15,16)17)21-13-11(7-20-21)6-18-8-19-13/h2-9H,1H3
InChIKeyKUUNYXIDBYNXJX-UHFFFAOYSA-N
XLogP3.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137106566
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
6-methyl-4-oxo-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbonitrile
CID 137106438
1-tritylpyrazolo[3,4-d]pyrimidine
CID 123834487
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
methyl 4,6-dimethoxy-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-d]pyrimidine-3-carboxylate
CID 134539018
1-[1-(4-fluorophenyl)ethyl]indazole
CID 173016436
1-propan-2-yl-5-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-4-amine
CID 117217975
2,3-dimethylbutan-2-yloxy-(4-pyrazolo[3,4-d]pyrimidin-1-ylphenyl)borinic acid
CID 90937553
3-ethyl-6-methyl-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137277590
6-methyl-4-oxo-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carbaldehyde
CID 137106435
methyl 6-methyl-4-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylate
CID 137106411

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine (CID 150874937) is 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine is CC(c1ccc(C(F)(F)F)cc1)n1ncc2cncnc21.
What is the InChIKey of 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is KUUNYXIDBYNXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-9(10-2-4-12(5-3-10)14(15,16)17)21-13-11(7-20-21)6-18-8-19-13/h2-9H,1H3.
What are the key properties of 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine?
1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 292.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 150874937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).