ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C15H11Cl2N3O3 — CID 58170089

IUPACethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C15H11Cl2N3O3/c1-2-23-15(22)11-6-13-14(21)18-12(7-20(13)19-11)9-4-3-8(16)5-10(9)17/h3-7H,2H2,1H3,(H,18,21)
InChIKeyQLHVMPWEIYPYGN-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.17
Rot. Bonds3

About ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 58170089) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID58170089
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC Nameethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C15H11Cl2N3O3/c1-2-23-15(22)11-6-13-14(21)18-12(7-20(13)19-11)9-4-3-8(16)5-10(9)17/h3-7H,2H2,1H3,(H,18,21)
InChIKeyQLHVMPWEIYPYGN-UHFFFAOYSA-N
XLogP3.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbaldehyde
CID 58170006
ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 165401365
ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
CID 11463589
ethyl 2-(2,4-dichlorophenyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 141399849
ethyl 4-[2-[(4-amino-5-cyano-1,3-thiazol-2-yl)amino]ethylamino]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 86651630
ethyl 5-chloro-2-(6-oxo-1H-pyridin-2-yl)benzoate
CID 122358417
ethyl 2-(2,4-dichlorophenyl)-1-nitroindolizine-3-carboxylate
CID 50901568
ethyl 5-chloro-1-(4-chlorophenyl)pyrazole-3-carboxylate
CID 139926661
ethyl 5-(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 118562617
ethyl 4-[3-[(5-acetyl-4-amino-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-6-(2,4-dichlorophenyl)pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58170063
N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 147411509
ethyl 5-(2,4-dichlorophenyl)-1-[4-[[(2S)-4-methylpentan-2-yl]carbamoyl]phenyl]pyrazole-3-carboxylate
CID 92772738

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 58170089) is ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(Cl)cc3Cl)cn2n1.
What is the InChIKey of ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is QLHVMPWEIYPYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c1-2-23-15(22)11-6-13-14(21)18-12(7-20(13)19-11)9-4-3-8(16)5-10(9)17/h3-7H,2H2,1H3,(H,18,21).
What are the key properties of ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 352.18 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 58170089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).