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

C16H12N4S — CID 134805770

IUPAC3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3ccccc3)nc12
InChIInChI=1S/C16H12N4S/c1-10-7-8-21-15(10)13-14-16(20-19-13)17-9-12(18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19,20)
InChIKeyKOSVAARIUSCESA-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.06
Rot. Bonds2

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

3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134805770) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134805770
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3ccccc3)nc12
InChIInChI=1S/C16H12N4S/c1-10-7-8-21-15(10)13-14-16(20-19-13)17-9-12(18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19,20)
InChIKeyKOSVAARIUSCESA-UHFFFAOYSA-N
XLogP4.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine (CID 134805770) is 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine is Cc1ccsc1-c1[nH]nc2ncc(-c3ccccc3)nc12.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is KOSVAARIUSCESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-10-7-8-21-15(10)13-14-16(20-19-13)17-9-12(18-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19,20).
What are the key properties of 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine?
3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 292.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134805770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).