6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine

C14H11Cl2FN4 — CID 134210949

IUPAC6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine
SMILESCc1nn(C(C)c2ccc(Cl)cc2F)c2nc(Cl)cnc12
InChIInChI=1S/C14H11Cl2FN4/c1-7-13-14(19-12(16)6-18-13)21(20-7)8(2)10-4-3-9(15)5-11(10)17/h3-6,8H,1-2H3
InChIKeyLJZOHHCXXYTSLZ-UHFFFAOYSA-N
MW325.17 g/mol
LogP4.19
Rot. Bonds2

About 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine

6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine (PubChem CID 134210949) has the molecular formula C14H11Cl2FN4 and a molecular weight of 325.17 g/mol. Its IUPAC name is 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine
PubChem CID134210949
Molecular FormulaC14H11Cl2FN4
Molecular Weight325.17 g/mol
Exact Mass324.03
IUPAC Name6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine
SMILESCc1nn(C(C)c2ccc(Cl)cc2F)c2nc(Cl)cnc12
InChIInChI=1S/C14H11Cl2FN4/c1-7-13-14(19-12(16)6-18-13)21(20-7)8(2)10-4-3-9(15)5-11(10)17/h3-6,8H,1-2H3
InChIKeyLJZOHHCXXYTSLZ-UHFFFAOYSA-N
XLogP4.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine (CID 134210949) is 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine is Cc1nn(C(C)c2ccc(Cl)cc2F)c2nc(Cl)cnc12.
What is the InChIKey of 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine?
The InChIKey is LJZOHHCXXYTSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN4/c1-7-13-14(19-12(16)6-18-13)21(20-7)8(2)10-4-3-9(15)5-11(10)17/h3-6,8H,1-2H3.
What are the key properties of 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine?
6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine has a molecular weight of 325.17 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[1-(4-chloro-2-fluorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134210949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).