2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine

C9H9F3N4 — CID 166898151

IUPAC2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine
SMILESCc1nc(C(F)(F)F)nc2c(C)n(C)nc12
InChIInChI=1S/C9H9F3N4/c1-4-6-7(5(2)16(3)15-6)14-8(13-4)9(10,11)12/h1-3H3
InChIKeyJJIPRPQBUDLUFK-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.00
Rot. Bonds

About 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine

2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine (PubChem CID 166898151) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine
PubChem CID166898151
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine
SMILESCc1nc(C(F)(F)F)nc2c(C)n(C)nc12
InChIInChI=1S/C9H9F3N4/c1-4-6-7(5(2)16(3)15-6)14-8(13-4)9(10,11)12/h1-3H3
InChIKeyJJIPRPQBUDLUFK-UHFFFAOYSA-N
XLogP2.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine?
The IUPAC name of 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine (CID 166898151) is 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine is Cc1nc(C(F)(F)F)nc2c(C)n(C)nc12.
What is the InChIKey of 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine?
The InChIKey is JJIPRPQBUDLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-4-6-7(5(2)16(3)15-6)14-8(13-4)9(10,11)12/h1-3H3.
What are the key properties of 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine?
2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine has a molecular weight of 230.19 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyl-5-(trifluoromethyl)pyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 166898151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).