1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine

C10H11F3N4 — CID 141285084

IUPAC1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
SMILESCC(C)(C)n1nc(C(F)(F)F)c2cncnc21
InChIInChI=1S/C10H11F3N4/c1-9(2,3)17-8-6(4-14-5-15-8)7(16-17)10(11,12)13/h4-5H,1-3H3
InChIKeyACSNISSHSIQFGE-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.60
Rot. Bonds

About 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine

1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine (PubChem CID 141285084) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
PubChem CID141285084
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
SMILESCC(C)(C)n1nc(C(F)(F)F)c2cncnc21
InChIInChI=1S/C10H11F3N4/c1-9(2,3)17-8-6(4-14-5-15-8)7(16-17)10(11,12)13/h4-5H,1-3H3
InChIKeyACSNISSHSIQFGE-UHFFFAOYSA-N
XLogP2.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219860
1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
CID 137148836
5,6-Dimethylpyrazolo[1,5-A]pyrimidine
CID 49761390
6-chloro-3-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 17569283
3-Bromo-5,6-dimethylpyrazolo[1,5-A]pyrimidine
CID 49761332
N-[(1-isobutyl-3-pyrrolidinyl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56906371
3-(3-Methylbut-3-en-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523452
3-(3,3-Dimethylbut-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523453
6-Chloro-2,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidine
CID 92133834
1,3-dimethyl-4-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
CID 70765313

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine (CID 141285084) is 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine is CC(C)(C)n1nc(C(F)(F)F)c2cncnc21.
What is the InChIKey of 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is ACSNISSHSIQFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-9(2,3)17-8-6(4-14-5-15-8)7(16-17)10(11,12)13/h4-5H,1-3H3.
What are the key properties of 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine?
1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 244.22 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 141285084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).