N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide

C21H19N5O2 — CID 40840629

IUPACN-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccc4nccnc4c3)C2)c1
InChIInChI=1S/C21H19N5O2/c1-13(27)24-17-5-3-4-15(10-17)19-12-21(26(25-19)14(2)28)16-6-7-18-20(11-16)23-9-8-22-18/h3-11,21H,12H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyWTQUVXTYQMDISB-NRFANRHFSA-N
MW373.42 g/mol
LogP3.29
Rot. Bonds3

About N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide

N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide (PubChem CID 40840629) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
PubChem CID40840629
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccc4nccnc4c3)C2)c1
InChIInChI=1S/C21H19N5O2/c1-13(27)24-17-5-3-4-15(10-17)19-12-21(26(25-19)14(2)28)16-6-7-18-20(11-16)23-9-8-22-18/h3-11,21H,12H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyWTQUVXTYQMDISB-NRFANRHFSA-N
XLogP3.29
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-5-(3-chlorophenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 97092937
N-[3-[2-acetyl-3-(3-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 71844547
1-[5-(4-methylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 42650673
N-[4-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 1093243
N-[3-[(3S)-2-acetyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide
CID 40819667
1-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 17497996
1-[(3S)-5-(3-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-2,2-dimethylpropan-1-one
CID 42535670
4-[(3S)-5-(3-methoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 42588804
4-oxo-4-[5-(4-phenylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]butanoic acid
CID 170949035
N-[3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 75510806
(3-methoxyphenyl)-(5-phenyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone
CID 17498000
1-[(3S)-3,5-bis(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97310245

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide (CID 40840629) is N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3ccc4nccnc4c3)C2)c1.
What is the InChIKey of N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
The InChIKey is WTQUVXTYQMDISB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13(27)24-17-5-3-4-15(10-17)19-12-21(26(25-19)14(2)28)16-6-7-18-20(11-16)23-9-8-22-18/h3-11,21H,12H2,1-2H3,(H,24,27)/t21-/m0/s1.
What are the key properties of N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide?
N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-2-acetyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 40840629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).