N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C30H30N4O3 — CID 50756517

IUPACN-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2)N(c2cccc(C)c2C)C3=O)cc1
InChIInChI=1S/C30H30N4O3/c1-20-9-8-12-26(21(20)2)34-28(35)27-17-25(23-13-15-24(37-4)16-14-23)32-33(27)19-30(34,3)29(36)31-18-22-10-6-5-7-11-22/h5-17H,18-19H2,1-4H3,(H,31,36)
InChIKeyDUBOOIKTQOIGML-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.91
Rot. Bonds6

About N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756517) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID50756517
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC NameN-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2)N(c2cccc(C)c2C)C3=O)cc1
InChIInChI=1S/C30H30N4O3/c1-20-9-8-12-26(21(20)2)34-28(35)27-17-25(23-13-15-24(37-4)16-14-23)32-33(27)19-30(34,3)29(36)31-18-22-10-6-5-7-11-22/h5-17H,18-19H2,1-4H3,(H,31,36)
InChIKeyDUBOOIKTQOIGML-UHFFFAOYSA-N
XLogP4.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739319
(6S)-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739229
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(4-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739347
N-benzyl-5-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 50756510
(6R)-N-benzyl-5-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739328
(6R)-N-benzyl-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739286
(6R)-2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739238
(6R)-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062999
(6R)-N-benzyl-5-(2-methoxyethyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739331
(6R)-N-benzyl-5-[(4-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739351
5-(2,3-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049473
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-[(4-methylsulfanylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739361

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756517) is N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2)N(c2cccc(C)c2C)C3=O)cc1.
What is the InChIKey of N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is DUBOOIKTQOIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-20-9-8-12-26(21(20)2)34-28(35)27-17-25(23-13-15-24(37-4)16-14-23)32-33(27)19-30(34,3)29(36)31-18-22-10-6-5-7-11-22/h5-17H,18-19H2,1-4H3,(H,31,36).
What are the key properties of N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).