1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one

C21H20N4O — CID 42649715

IUPAC1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccccc2C)CC1c1ccc2nccnc2c1
InChIInChI=1S/C21H20N4O/c1-3-21(26)25-20(13-18(24-25)16-7-5-4-6-14(16)2)15-8-9-17-19(12-15)23-11-10-22-17/h4-12,20H,3,13H2,1-2H3
InChIKeyXURDEOSIRHIHCU-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.03
Rot. Bonds3

About 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one

1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 42649715) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID42649715
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccccc2C)CC1c1ccc2nccnc2c1
InChIInChI=1S/C21H20N4O/c1-3-21(26)25-20(13-18(24-25)16-7-5-4-6-14(16)2)15-8-9-17-19(12-15)23-11-10-22-17/h4-12,20H,3,13H2,1-2H3
InChIKeyXURDEOSIRHIHCU-UHFFFAOYSA-N
XLogP4.03
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 17497996
N-[2-(2-propanoyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
CID 42649622
1-[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 42108887
(4-methoxyphenyl)-[(3S)-5-(2-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]methanone
CID 42589844
1-[(3R)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 52791231
4-oxo-4-[5-(4-phenylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoic acid
CID 170949035
1-[5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 42650673
[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 42108901
4-oxo-4-[5-(4-phenoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoic acid
CID 170949165
4-[5-(4-ethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 42650303
N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71906254
4-[(3S)-5-(3-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 42588804

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one (CID 42649715) is 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2ccccc2C)CC1c1ccc2nccnc2c1.
What is the InChIKey of 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is XURDEOSIRHIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-21(26)25-20(13-18(24-25)16-7-5-4-6-14(16)2)15-8-9-17-19(12-15)23-11-10-22-17/h4-12,20H,3,13H2,1-2H3.
What are the key properties of 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 344.42 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 42649715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).