(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine

C17H21N5 — CID 95757700

IUPAC(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2nc3ccccc3nc2C)c1
InChIInChI=1S/C17H21N5/c1-12-8-19-22(10-12)11-13(2)18-9-17-14(3)20-15-6-4-5-7-16(15)21-17/h4-8,10,13,18H,9,11H2,1-3H3/t13-/m1/s1
InChIKeyLYXLMWPJDSDGTH-CYBMUJFWSA-N
MW295.39 g/mol
LogP2.62
Rot. Bonds5

About (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine

(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine (PubChem CID 95757700) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
PubChem CID95757700
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2nc3ccccc3nc2C)c1
InChIInChI=1S/C17H21N5/c1-12-8-19-22(10-12)11-13(2)18-9-17-14(3)20-15-6-4-5-7-16(15)21-17/h4-8,10,13,18H,9,11H2,1-3H3/t13-/m1/s1
InChIKeyLYXLMWPJDSDGTH-CYBMUJFWSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine (CID 95757700) is (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine is Cc1cnn(C[C@@H](C)NCc2nc3ccccc3nc2C)c1.
What is the InChIKey of (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine?
The InChIKey is LYXLMWPJDSDGTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-8-19-22(10-12)11-13(2)18-9-17-14(3)20-15-6-4-5-7-16(15)21-17/h4-8,10,13,18H,9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine?
(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 95757700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).