[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

C24H20N4O2 — CID 42588973

IUPAC[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCCc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C24H20N4O2/c1-2-16-5-7-17(8-6-16)20-15-22(28(27-20)24(29)23-4-3-13-30-23)18-9-10-19-21(14-18)26-12-11-25-19/h3-14,22H,2,15H2,1H3/t22-/m0/s1
InChIKeyQCCBYUBBOXEWPX-QFIPXVFZSA-N
MW396.45 g/mol
LogP4.78
Rot. Bonds4

About [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone

[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (PubChem CID 42588973) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
PubChem CID42588973
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
SMILESCCc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc4nccnc4c3)C2)cc1
InChIInChI=1S/C24H20N4O2/c1-2-16-5-7-17(8-6-16)20-15-22(28(27-20)24(29)23-4-3-13-30-23)18-9-10-19-21(14-18)26-12-11-25-19/h3-14,22H,2,15H2,1H3/t22-/m0/s1
InChIKeyQCCBYUBBOXEWPX-QFIPXVFZSA-N
XLogP4.78
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

1-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 17497996
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
1-[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 42108887
4-oxo-4-[5-(4-phenylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoic acid
CID 170949035
(3-methoxyphenyl)-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone
CID 17498000
[(3S)-5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
CID 42588911
N-[4-[(3R)-2-(furan-2-carbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 27280825
4-[5-(4-ethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 42650303
1-[(3R)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 52791231
furan-2-yl-[(3R)-5-(2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 135556947
1-[5-(4-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-methylpropan-1-one
CID 16877100

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone (CID 42588973) is [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is CCc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc4nccnc4c3)C2)cc1.
What is the InChIKey of [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
The InChIKey is QCCBYUBBOXEWPX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-2-16-5-7-17(8-6-16)20-15-22(28(27-20)24(29)23-4-3-13-30-23)18-9-10-19-21(14-18)26-12-11-25-19/h3-14,22H,2,15H2,1H3/t22-/m0/s1.
What are the key properties of [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone?
[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone has a molecular weight of 396.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 42588973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).