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

C16H12F3N3O4 — CID 165401365

IUPACethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(OC(F)(F)F)cc3)cn2n1
InChIInChI=1S/C16H12F3N3O4/c1-2-25-15(24)11-7-13-14(23)20-12(8-22(13)21-11)9-3-5-10(6-4-9)26-16(17,18)19/h3-8H,2H2,1H3,(H,20,23)
InChIKeyWSKWCLVZQWOZPS-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.76
Rot. Bonds4

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

ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 165401365) has the molecular formula C16H12F3N3O4 and a molecular weight of 367.28 g/mol. Its IUPAC name is ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID165401365
Molecular FormulaC16H12F3N3O4
Molecular Weight367.28 g/mol
Exact Mass367.08
IUPAC Nameethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(OC(F)(F)F)cc3)cn2n1
InChIInChI=1S/C16H12F3N3O4/c1-2-25-15(24)11-7-13-14(23)20-12(8-22(13)21-11)9-3-5-10(6-4-9)26-16(17,18)19/h3-8H,2H2,1H3,(H,20,23)
InChIKeyWSKWCLVZQWOZPS-UHFFFAOYSA-N
XLogP2.76
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58170089
6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 71765458
ethyl 2-phenyl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrole-3-carboxylate
CID 170695775
ethyl 3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoate
CID 134633183
ethyl 1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylate
CID 129319134
ethyl 3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxylate
CID 139453528
ethyl 2-methyl-6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 76852879
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1-methylpyrazole-3-carboxylate
CID 90277058
ethyl 4-oxo-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinoline-3-carboxylate
CID 67607592
ethyl 3-methoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate
CID 66777939
N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 147411509

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 165401365) is ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2c(=O)[nH]c(-c3ccc(OC(F)(F)F)cc3)cn2n1.
What is the InChIKey of ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is WSKWCLVZQWOZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4/c1-2-25-15(24)11-7-13-14(23)20-12(8-22(13)21-11)9-3-5-10(6-4-9)26-16(17,18)19/h3-8H,2H2,1H3,(H,20,23).
What are the key properties of ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 367.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 165401365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).