2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline

C16H17N5 — CID 95342310

IUPAC2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
SMILESCn1cc([C@H]2CCCN2c2cnc3ccccc3n2)cn1
InChIInChI=1S/C16H17N5/c1-20-11-12(9-18-20)15-7-4-8-21(15)16-10-17-13-5-2-3-6-14(13)19-16/h2-3,5-6,9-11,15H,4,7-8H2,1H3/t15-/m1/s1
InChIKeyQTRBOPIANKBIQX-OAHLLOKOSA-N
MW279.35 g/mol
LogP2.70
Rot. Bonds2

About 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline (PubChem CID 95342310) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
PubChem CID95342310
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline
SMILESCn1cc([C@H]2CCCN2c2cnc3ccccc3n2)cn1
InChIInChI=1S/C16H17N5/c1-20-11-12(9-18-20)15-7-4-8-21(15)16-10-17-13-5-2-3-6-14(13)19-16/h2-3,5-6,9-11,15H,4,7-8H2,1H3/t15-/m1/s1
InChIKeyQTRBOPIANKBIQX-OAHLLOKOSA-N
XLogP2.70
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline?
The IUPAC name of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline (CID 95342310) is 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline?
The canonical SMILES for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline is Cn1cc([C@H]2CCCN2c2cnc3ccccc3n2)cn1.
What is the InChIKey of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline?
The InChIKey is QTRBOPIANKBIQX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17N5/c1-20-11-12(9-18-20)15-7-4-8-21(15)16-10-17-13-5-2-3-6-14(13)19-16/h2-3,5-6,9-11,15H,4,7-8H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline?
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline has a molecular weight of 279.35 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]quinoxaline is sourced from PubChem (CID 95342310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).