3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine

C19H17N5 — CID 59286240

IUPAC3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine
SMILESCc1ccccc1-n1nc(C)c(-c2ccc3nccnc3c2)c1N
InChIInChI=1S/C19H17N5/c1-12-5-3-4-6-17(12)24-19(20)18(13(2)23-24)14-7-8-15-16(11-14)22-10-9-21-15/h3-11H,20H2,1-2H3
InChIKeyABFDZLDZIVNLCW-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.68
Rot. Bonds2

About 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine

3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine (PubChem CID 59286240) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine
PubChem CID59286240
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine
SMILESCc1ccccc1-n1nc(C)c(-c2ccc3nccnc3c2)c1N
InChIInChI=1S/C19H17N5/c1-12-5-3-4-6-17(12)24-19(20)18(13(2)23-24)14-7-8-15-16(11-14)22-10-9-21-15/h3-11H,20H2,1-2H3
InChIKeyABFDZLDZIVNLCW-UHFFFAOYSA-N
XLogP3.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine?
The IUPAC name of 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine (CID 59286240) is 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine is Cc1ccccc1-n1nc(C)c(-c2ccc3nccnc3c2)c1N.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine?
The InChIKey is ABFDZLDZIVNLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-12-5-3-4-6-17(12)24-19(20)18(13(2)23-24)14-7-8-15-16(11-14)22-10-9-21-15/h3-11H,20H2,1-2H3.
What are the key properties of 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine?
3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine has a molecular weight of 315.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)-4-quinoxalin-6-ylpyrazol-5-amine is sourced from PubChem (CID 59286240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).