6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline

C17H12Cl2N4 — CID 176900311

IUPAC6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline
SMILESClc1ccc(C2=NNC(c3ccc4nccnc4c3)C2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N4/c18-11-2-3-12(13(19)8-11)16-9-15(22-23-16)10-1-4-14-17(7-10)21-6-5-20-14/h1-8,15,22H,9H2
InChIKeyRLJDOUPCJAIQSX-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.38
Rot. Bonds2

About 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline

6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline (PubChem CID 176900311) has the molecular formula C17H12Cl2N4 and a molecular weight of 343.22 g/mol. Its IUPAC name is 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline.

Molecular Properties

Compound Name6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline
PubChem CID176900311
Molecular FormulaC17H12Cl2N4
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline
SMILESClc1ccc(C2=NNC(c3ccc4nccnc4c3)C2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N4/c18-11-2-3-12(13(19)8-11)16-9-15(22-23-16)10-1-4-14-17(7-10)21-6-5-20-14/h1-8,15,22H,9H2
InChIKeyRLJDOUPCJAIQSX-UHFFFAOYSA-N
XLogP4.38
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135597142
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135900294
4-chloro-2-(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3811786
4-[2-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-methylphenoxy]-2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 177007342
6-piperidin-2-ylquinoxaline
CID 171487792
2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-nitrophenolate
CID 6945530
3-(4-bromophenyl)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole
CID 15628692
6-(azetidin-3-yl)quinoxaline;hydrochloride
CID 154791366
3-(2,4-dichlorophenyl)-1,4-dihydropyrazole-5-thione
CID 144921488
5-(3,4-difluorophenyl)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175459
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 4738355
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline?
The IUPAC name of 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline (CID 176900311) is 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline.
What is the SMILES notation for 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline?
The canonical SMILES for 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline is Clc1ccc(C2=NNC(c3ccc4nccnc4c3)C2)c(Cl)c1.
What is the InChIKey of 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline?
The InChIKey is RLJDOUPCJAIQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4/c18-11-2-3-12(13(19)8-11)16-9-15(22-23-16)10-1-4-14-17(7-10)21-6-5-20-14/h1-8,15,22H,9H2.
What are the key properties of 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline?
6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline has a molecular weight of 343.22 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoxaline is sourced from PubChem (CID 176900311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).