3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine

C19H16ClN5 — CID 931566

IUPAC3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine
SMILESCc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2C)n1
InChIInChI=1S/C19H16ClN5/c1-12-7-3-6-10-16(12)25-17(11-13(2)24-25)23-19-18(20)21-14-8-4-5-9-15(14)22-19/h3-11H,1-2H3,(H,22,23)
InChIKeyTZSVTUMYZPAHHZ-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.83
Rot. Bonds3

About 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine

3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine (PubChem CID 931566) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine
PubChem CID931566
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine
SMILESCc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2C)n1
InChIInChI=1S/C19H16ClN5/c1-12-7-3-6-10-16(12)25-17(11-13(2)24-25)23-19-18(20)21-14-8-4-5-9-15(14)22-19/h3-11H,1-2H3,(H,22,23)
InChIKeyTZSVTUMYZPAHHZ-UHFFFAOYSA-N
XLogP4.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine (CID 931566) is 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine is Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2C)n1.
What is the InChIKey of 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine?
The InChIKey is TZSVTUMYZPAHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c1-12-7-3-6-10-16(12)25-17(11-13(2)24-25)23-19-18(20)21-14-8-4-5-9-15(14)22-19/h3-11H,1-2H3,(H,22,23).
What are the key properties of 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine?
3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine has a molecular weight of 349.83 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]quinoxalin-2-amine is sourced from PubChem (CID 931566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).