[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C24H17FN4O — CID 42108901

IUPAC[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1
InChIInChI=1S/C24H17FN4O/c25-19-9-6-16(7-10-19)21-15-23(18-8-11-20-22(14-18)27-13-12-26-20)29(28-21)24(30)17-4-2-1-3-5-17/h1-14,23H,15H2/t23-/m1/s1
InChIKeyZUMBCVREGBSWRD-HSZRJFAPSA-N
MW396.43 g/mol
LogP4.76
Rot. Bonds3

About [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone

[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 42108901) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID42108901
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1
InChIInChI=1S/C24H17FN4O/c25-19-9-6-16(7-10-19)21-15-23(18-8-11-20-22(14-18)27-13-12-26-20)29(28-21)24(30)17-4-2-1-3-5-17/h1-14,23H,15H2/t23-/m1/s1
InChIKeyZUMBCVREGBSWRD-HSZRJFAPSA-N
XLogP4.76
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 42108887
(3-methoxyphenyl)-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone
CID 17498000
1-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 17497996
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
1-[5-(4-fluorophenyl)-3-quinolin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 42962525
1-[(3R)-5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 52791231
[3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3098588
(4-methoxyphenyl)-[(3S)-5-(2-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]methanone
CID 42589844
4-oxo-4-[5-(4-phenoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoic acid
CID 170949165
6-[(3R)-5-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 29132132
[(3S)-5-(4-ethylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 42588973

Frequently Asked Questions

What is the IUPAC name of [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 42108901) is [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1.
What is the InChIKey of [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is ZUMBCVREGBSWRD-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H17FN4O/c25-19-9-6-16(7-10-19)21-15-23(18-8-11-20-22(14-18)27-13-12-26-20)29(28-21)24(30)17-4-2-1-3-5-17/h1-14,23H,15H2/t23-/m1/s1.
What are the key properties of [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 396.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-(4-fluorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 42108901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).