1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one

C20H15F3N4O — CID 16730412

IUPAC1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2cccc(C(F)(F)F)c2)c(=O)n1C
InChIInChI=1S/C20H15F3N4O/c1-26-18(13-6-7-15-16(11-13)25-9-8-24-15)17(19(28)27(26)2)12-4-3-5-14(10-12)20(21,22)23/h3-11H,1-2H3
InChIKeyOVXHPFAQUCVOII-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.02
Rot. Bonds2

About 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one

1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one (PubChem CID 16730412) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one.

Molecular Properties

Compound Name1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
PubChem CID16730412
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2cccc(C(F)(F)F)c2)c(=O)n1C
InChIInChI=1S/C20H15F3N4O/c1-26-18(13-6-7-15-16(11-13)25-9-8-24-15)17(19(28)27(26)2)12-4-3-5-14(10-12)20(21,22)23/h3-11H,1-2H3
InChIKeyOVXHPFAQUCVOII-UHFFFAOYSA-N
XLogP4.02
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one
CID 16730825
3-(4-Aminophenyl)quinoxaline-5-carboxamide
CID 25218519
N-[2-(4-fluorophenyl)ethyl]quinoxaline-6-carboxamide
CID 9462807
3-methyl-N-quinolin-8-ylbenzamide
CID 849605
N-[2-(trifluoromethyl)phenyl]quinoxaline-6-carboxamide
CID 1512220
N-(2,4-dimethylphenyl)quinoxaline-6-carboxamide
CID 858922
N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide
CID 2501545
N-cyclohexyl-N-methyl-6-quinoxalinecarboxamide
CID 2814458
1,2-Dimethyl-5-quinoxalin-6-yl-4-m-tolyl-1,2-dihydro-pyrazol-3-one
CID 16070117
1,2-Dimethyl-4-pyridin-2-yl-5-quinoxalin-6-yl-1,2-dihydro-pyrazol-3-one
CID 16730334
4-(3-chlorophenyl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one
CID 16730337

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The IUPAC name of 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one (CID 16730412) is 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one.
What is the SMILES notation for 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The canonical SMILES for 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one is Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(C(F)(F)F)c2)c(=O)n1C.
What is the InChIKey of 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
The InChIKey is OVXHPFAQUCVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-26-18(13-6-7-15-16(11-13)25-9-8-24-15)17(19(28)27(26)2)12-4-3-5-14(10-12)20(21,22)23/h3-11H,1-2H3.
What are the key properties of 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one?
1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one has a molecular weight of 384.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-quinoxalin-6-yl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-one is sourced from PubChem (CID 16730412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).