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

C15H12N6 — CID 134805069

IUPAC3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccccc1-c1[nH]nc2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C15H12N6/c1-9-4-2-3-5-11(9)13-14-15(21-20-13)16-8-12(19-14)10-6-17-18-7-10/h2-8H,1H3,(H,17,18)(H,16,20,21)
InChIKeyKTBLQWSFYCGDEC-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.72
Rot. Bonds2

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

3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134805069) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134805069
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCc1ccccc1-c1[nH]nc2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C15H12N6/c1-9-4-2-3-5-11(9)13-14-15(21-20-13)16-8-12(19-14)10-6-17-18-7-10/h2-8H,1H3,(H,17,18)(H,16,20,21)
InChIKeyKTBLQWSFYCGDEC-UHFFFAOYSA-N
XLogP2.72
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-2-(1H-pyrazol-4-yl)quinoxaline
CID 163237562
2-[3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
CID 137288914
3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine
CID 134807071
2-(1H-pyrazol-4-yl)-8-(trifluoromethyl)quinoxaline
CID 170777807
4-methyl-2-(1H-pyrazol-4-yl)quinoline
CID 170518667
5-(2-methylphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521126
2-[4-[2-[3,5-bis[2-(1H-pyrazol-4-yl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
CID 139298890
5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134805773
4-(2-chlorophenyl)-5-(1H-pyrazol-4-yl)-1H-pyrazol-3-amine
CID 135969081
methanamine;4-phenyl-1H-pyrazole
CID 174608925
7-iodo-2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 90104537
2-[5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
CID 136945577

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 134805069) is 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is Cc1ccccc1-c1[nH]nc2ncc(-c3cn[nH]c3)nc12.
What is the InChIKey of 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is KTBLQWSFYCGDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-9-4-2-3-5-11(9)13-14-15(21-20-13)16-8-12(19-14)10-6-17-18-7-10/h2-8H,1H3,(H,17,18)(H,16,20,21).
What are the key properties of 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 276.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134805069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).