2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine

C18H15F3N6 — CID 151903382

IUPAC2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine
SMILESCCn1c(-n2cc(C(F)(F)F)cn2)nc2cnc(Cc3ccccc3)nc21
InChIInChI=1S/C18H15F3N6/c1-2-26-16-14(10-22-15(25-16)8-12-6-4-3-5-7-12)24-17(26)27-11-13(9-23-27)18(19,20)21/h3-7,9-11H,2,8H2,1H3
InChIKeySTFVEWXHUJTCAH-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.64
Rot. Bonds4

About 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine

2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine (PubChem CID 151903382) has the molecular formula C18H15F3N6 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine.

Molecular Properties

Compound Name2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine
PubChem CID151903382
Molecular FormulaC18H15F3N6
Molecular Weight372.35 g/mol
Exact Mass372.13
IUPAC Name2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine
SMILESCCn1c(-n2cc(C(F)(F)F)cn2)nc2cnc(Cc3ccccc3)nc21
InChIInChI=1S/C18H15F3N6/c1-2-26-16-14(10-22-15(25-16)8-12-6-4-3-5-7-12)24-17(26)27-11-13(9-23-27)18(19,20)21/h3-7,9-11H,2,8H2,1H3
InChIKeySTFVEWXHUJTCAH-UHFFFAOYSA-N
XLogP3.64
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine 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

2-benzyl-8-methylpurin-9-amine
CID 161294878
9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine
CID 150054628
2-benzyl-4-fluoro-5-(trifluoromethyl)pyrimidine
CID 175684442
N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868324
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
N-(1-phenylbutyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-amine
CID 141400714
N-methyl-1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]ethanamine
CID 83128144
2-benzylpyrimidine
CID 13143744
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
2,4-dibenzylpyrimidine
CID 59375877
9-(4-benzylphenoxy)-2-ethylpurine
CID 67649040
4-[4-(difluoromethyl)pyrazol-1-yl]-6-methoxy-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 175766158

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine?
The IUPAC name of 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine (CID 151903382) is 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine.
What is the SMILES notation for 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine?
The canonical SMILES for 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine is CCn1c(-n2cc(C(F)(F)F)cn2)nc2cnc(Cc3ccccc3)nc21.
What is the InChIKey of 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine?
The InChIKey is STFVEWXHUJTCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6/c1-2-26-16-14(10-22-15(25-16)8-12-6-4-3-5-7-12)24-17(26)27-11-13(9-23-27)18(19,20)21/h3-7,9-11H,2,8H2,1H3.
What are the key properties of 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine?
2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine has a molecular weight of 372.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine is sourced from PubChem (CID 151903382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).