N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C18H20N4O4 — CID 91891199

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1OC
InChIInChI=1S/C18H20N4O4/c1-11-10-22-14(18(24)20-11)9-13(21-22)17(23)19-7-6-12-4-5-15(25-2)16(8-12)26-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyZGIKCFGRCCOBNL-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.32
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891199) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891199
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1OC
InChIInChI=1S/C18H20N4O4/c1-11-10-22-14(18(24)20-11)9-13(21-22)17(23)19-7-6-12-4-5-15(25-2)16(8-12)26-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyZGIKCFGRCCOBNL-UHFFFAOYSA-N
XLogP1.32
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891199) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(CCNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ZGIKCFGRCCOBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-10-22-14(18(24)20-11)9-13(21-22)17(23)19-7-6-12-4-5-15(25-2)16(8-12)26-3/h4-5,8-10H,6-7H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).