3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline

C17H14N4 — CID 15882579

IUPAC3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
SMILESCc1ccc2nc3c(C)nn(-c4ccccc4)c3nc2c1
InChIInChI=1S/C17H14N4/c1-11-8-9-14-15(10-11)19-17-16(18-14)12(2)20-21(17)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyAMVWXAPCGMMFCD-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.59
Rot. Bonds1

About 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline

3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline (PubChem CID 15882579) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline.

Molecular Properties

Compound Name3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
PubChem CID15882579
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline
SMILESCc1ccc2nc3c(C)nn(-c4ccccc4)c3nc2c1
InChIInChI=1S/C17H14N4/c1-11-8-9-14-15(10-11)19-17-16(18-14)12(2)20-21(17)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyAMVWXAPCGMMFCD-UHFFFAOYSA-N
XLogP3.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
13-methyl-15-phenyl-11,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-8,9-dione
CID 155814510
12-methyl-14-phenyl-10,13,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,12,15-heptaene
CID 71652871
2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)-1,3-thiazole
CID 27036330
7-methyl-5-phenyl-3-piperidin-1-ylpyrazolo[5,4-e][1,2,4]triazine
CID 13290929
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
3-methylpyrazolo[4,3-b]quinoxaline-1-carbothioamide
CID 27036296
3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridine
CID 4671441
2-methyl-6-phenylindolo[2,3-b]quinoline
CID 132962157
2-[(E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethenyl]-5-methyl-1,3-benzothiazole
CID 18224629
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
CID 13409655

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline?
The IUPAC name of 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline (CID 15882579) is 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline.
What is the SMILES notation for 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline?
The canonical SMILES for 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline is Cc1ccc2nc3c(C)nn(-c4ccccc4)c3nc2c1.
What is the InChIKey of 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline?
The InChIKey is AMVWXAPCGMMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11-8-9-14-15(10-11)19-17-16(18-14)12(2)20-21(17)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline?
3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline has a molecular weight of 274.33 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-phenylpyrazolo[4,3-b]quinoxaline is sourced from PubChem (CID 15882579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).