3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine

C13H10N6S — CID 134805057

IUPAC3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C13H10N6S/c1-7-2-3-20-12(7)10-11-13(19-18-10)14-6-9(17-11)8-4-15-16-5-8/h2-6H,1H3,(H,15,16)(H,14,18,19)
InChIKeyJPHYWJYGPQURPC-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.78
Rot. Bonds2

About 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine

3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134805057) has the molecular formula C13H10N6S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134805057
Molecular FormulaC13H10N6S
Molecular Weight282.33 g/mol
Exact Mass282.07
IUPAC Name3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C13H10N6S/c1-7-2-3-20-12(7)10-11-13(19-18-10)14-6-9(17-11)8-4-15-16-5-8/h2-6H,1H3,(H,15,16)(H,14,18,19)
InChIKeyJPHYWJYGPQURPC-UHFFFAOYSA-N
XLogP2.78
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 134805057) is 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is Cc1ccsc1-c1[nH]nc2ncc(-c3cn[nH]c3)nc12.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is JPHYWJYGPQURPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S/c1-7-2-3-20-12(7)10-11-13(19-18-10)14-6-9(17-11)8-4-15-16-5-8/h2-6H,1H3,(H,15,16)(H,14,18,19).
What are the key properties of 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 282.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134805057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).