ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C35H34Cl2N6O8 — CID 167698532

IUPACethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nn2cc(-c3ccc(Cl)c(C)c3)[nH]c(=O)c2c1COC.COCc1c(C(=O)OC)nn2cc(-c3ccc(Cl)c(C)c3)[nH]c(=O)c12
InChIInChI=1S/C18H18ClN3O4.C17H16ClN3O4/c1-4-26-18(24)15-12(9-25-3)16-17(23)20-14(8-22(16)21-15)11-5-6-13(19)10(2)7-11;1-9-6-10(4-5-12(9)18)13-7-21-15(16(22)19-13)11(8-24-2)14(20-21)17(23)25-3/h5-8H,4,9H2,1-3H3,(H,20,23);4-7H,8H2,1-3H3,(H,19,22)
InChIKeyYAEDIJARDHQSBX-UHFFFAOYSA-N
MW737.60 g/mol
LogP5.56
Rot. Bonds9

About ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 167698532) has the molecular formula C35H34Cl2N6O8 and a molecular weight of 737.60 g/mol. Its IUPAC name is ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID167698532
Molecular FormulaC35H34Cl2N6O8
Molecular Weight737.60 g/mol
Exact Mass736.18
IUPAC Nameethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nn2cc(-c3ccc(Cl)c(C)c3)[nH]c(=O)c2c1COC.COCc1c(C(=O)OC)nn2cc(-c3ccc(Cl)c(C)c3)[nH]c(=O)c12
InChIInChI=1S/C18H18ClN3O4.C17H16ClN3O4/c1-4-26-18(24)15-12(9-25-3)16-17(23)20-14(8-22(16)21-15)11-5-6-13(19)10(2)7-11;1-9-6-10(4-5-12(9)18)13-7-21-15(16(22)19-13)11(8-24-2)14(20-21)17(23)25-3/h5-8H,4,9H2,1-3H3,(H,20,23);4-7H,8H2,1-3H3,(H,19,22)
InChIKeyYAEDIJARDHQSBX-UHFFFAOYSA-N
XLogP5.56
TPSA171.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.60
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-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 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 152728605
3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 152549900
ethyl 6-(2,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58170089
ethyl 5-(4-chloro-3-methylphenyl)-4-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 67565629
ethyl 4-oxo-6-[4-(trifluoromethoxy)phenyl]-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 165401365
methyl 5-amino-2-(4-chloro-3-methylphenyl)-1,3-thiazole-4-carboxylate
CID 103199703
ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 74538685
N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 147411509
6-(3,4-dimethylphenyl)-N-[(1R)-1-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-3-propan-2-yl-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 156653393
ethyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylate
CID 59781609
ethyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490237
ethyl 3-(4-methylphenyl)-5-oxo-4H-1,2,4-triazine-6-carboxylate
CID 135449426

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 167698532) is ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1nn2cc(-c3ccc(Cl)c(C)c3)[nH]c(=O)c2c1COC.COCc1c(C(=O)OC)nn2cc(-c3ccc(Cl)c(C)c3)[nH]c(=O)c12.
What is the InChIKey of ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is YAEDIJARDHQSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4.C17H16ClN3O4/c1-4-26-18(24)15-12(9-25-3)16-17(23)20-14(8-22(16)21-15)11-5-6-13(19)10(2)7-11;1-9-6-10(4-5-12(9)18)13-7-21-15(16(22)19-13)11(8-24-2)14(20-21)17(23)25-3/h5-8H,4,9H2,1-3H3,(H,20,23);4-7H,8H2,1-3H3,(H,19,22).
What are the key properties of ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 737.60 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate;methyl 6-(4-chloro-3-methylphenyl)-3-(methoxymethyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 167698532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).