ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate

C17H16F3N3O4 — CID 170713183

IUPACethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1C(=O)N(c1ccc(OC(F)(F)F)cc1)[C@@H](C)C2
InChIInChI=1S/C17H16F3N3O4/c1-3-26-16(25)13-8-21-22-9-10(2)23(15(24)14(13)22)11-4-6-12(7-5-11)27-17(18,19)20/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyJICQBJWZLOJFDJ-JTQLQIEISA-N
MW383.33 g/mol
LogP3.01
Rot. Bonds4

About ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate

ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate (PubChem CID 170713183) has the molecular formula C17H16F3N3O4 and a molecular weight of 383.33 g/mol. Its IUPAC name is ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
PubChem CID170713183
Molecular FormulaC17H16F3N3O4
Molecular Weight383.33 g/mol
Exact Mass383.11
IUPAC Nameethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
SMILESCCOC(=O)c1cnn2c1C(=O)N(c1ccc(OC(F)(F)F)cc1)[C@@H](C)C2
InChIInChI=1S/C17H16F3N3O4/c1-3-26-16(25)13-8-21-22-9-10(2)23(15(24)14(13)22)11-4-6-12(7-5-11)27-17(18,19)20/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1
InChIKeyJICQBJWZLOJFDJ-JTQLQIEISA-N
XLogP3.01
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (6S)-5-(4-bromophenyl)-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713407
ethyl (6S)-5-[4-(4-methoxybenzoyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713417
N-(3-cyanophenyl)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174204932
ethyl (7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate;sulfane
CID 161351817
[6-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]carbamic acid
CID 174204351
ethyl 5-(4-benzoylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate
CID 170713520
ethyl 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylate
CID 625309
(6S)-N-(3-cyano-4-methoxyphenyl)-6-methyl-4-oxo-5-[4-(2,2,2-trifluoroethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170713202
ethyl 3-methoxy-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxylate
CID 66777939
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
N-[4-(2-aminoethoxy)-3-cyanophenyl]-5-[4-[difluoro(phenyl)methyl]phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 174162885
ethyl 5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54547036

Frequently Asked Questions

What is the IUPAC name of ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate (CID 170713183) is ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate is CCOC(=O)c1cnn2c1C(=O)N(c1ccc(OC(F)(F)F)cc1)[C@@H](C)C2.
What is the InChIKey of ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
The InChIKey is JICQBJWZLOJFDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F3N3O4/c1-3-26-16(25)13-8-21-22-9-10(2)23(15(24)14(13)22)11-4-6-12(7-5-11)27-17(18,19)20/h4-8,10H,3,9H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate?
ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate has a molecular weight of 383.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S)-6-methyl-4-oxo-5-[4-(trifluoromethoxy)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxylate is sourced from PubChem (CID 170713183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).