1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline

C15H20N4 — CID 86785673

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCc1n[nH]c(C)c1CN1CCN(C)c2ccccc21
InChIInChI=1S/C15H20N4/c1-11-13(12(2)17-16-11)10-19-9-8-18(3)14-6-4-5-7-15(14)19/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyBFXVUJXICNUEHC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.48
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline (PubChem CID 86785673) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline
PubChem CID86785673
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCc1n[nH]c(C)c1CN1CCN(C)c2ccccc21
InChIInChI=1S/C15H20N4/c1-11-13(12(2)17-16-11)10-19-9-8-18(3)14-6-4-5-7-15(14)19/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyBFXVUJXICNUEHC-UHFFFAOYSA-N
XLogP2.48
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline 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 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline (CID 86785673) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline is Cc1n[nH]c(C)c1CN1CCN(C)c2ccccc21.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is BFXVUJXICNUEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-13(12(2)17-16-11)10-19-9-8-18(3)14-6-4-5-7-15(14)19/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 256.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 86785673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).