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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Related Compounds

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
N-(2-aminoethyl)-12-methyl-4-(1H-pyrazol-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093431
CID 49830886
CID 49830886
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
5-(2-aminoethylsulfanyl)-3-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 168269589
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
4-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998031
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
3-(2-Fluorobenzyl)-7-(2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 9858578

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).