5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine

C14H12N6S — CID 134810006

IUPAC5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3ccnn3C)nc12
InChIInChI=1S/C14H12N6S/c1-8-4-6-21-13(8)11-12-14(19-18-11)15-7-9(17-12)10-3-5-16-20(10)2/h3-7H,1-2H3,(H,15,18,19)
InChIKeyBKWZPUJITIFNOW-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.79
Rot. Bonds2

About 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine

5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134810006) has the molecular formula C14H12N6S and a molecular weight of 296.36 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134810006
Molecular FormulaC14H12N6S
Molecular Weight296.36 g/mol
Exact Mass296.08
IUPAC Name5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3ccnn3C)nc12
InChIInChI=1S/C14H12N6S/c1-8-4-6-21-13(8)11-12-14(19-18-11)15-7-9(17-12)10-3-5-16-20(10)2/h3-7H,1-2H3,(H,15,18,19)
InChIKeyBKWZPUJITIFNOW-UHFFFAOYSA-N
XLogP2.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 134810006) is 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is Cc1ccsc1-c1[nH]nc2ncc(-c3ccnn3C)nc12.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is BKWZPUJITIFNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6S/c1-8-4-6-21-13(8)11-12-14(19-18-11)15-7-9(17-12)10-3-5-16-20(10)2/h3-7H,1-2H3,(H,15,18,19).
What are the key properties of 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 296.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134810006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).