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

C17H18N4O5 — CID 91908301

IUPAC6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc(OC)c1OC
InChIInChI=1S/C17H18N4O5/c1-9-8-21-12(17(23)18-9)7-11(20-21)16(22)19-10-5-13(24-2)15(26-4)14(6-10)25-3/h5-8H,1-4H3,(H,18,23)(H,19,22)
InChIKeyMHVGZXAPPARHTF-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.61
Rot. Bonds5

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

6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908301) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908301
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc(OC)c1OC
InChIInChI=1S/C17H18N4O5/c1-9-8-21-12(17(23)18-9)7-11(20-21)16(22)19-10-5-13(24-2)15(26-4)14(6-10)25-3/h5-8H,1-4H3,(H,18,23)(H,19,22)
InChIKeyMHVGZXAPPARHTF-UHFFFAOYSA-N
XLogP1.61
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908301) is 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cc(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is MHVGZXAPPARHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-9-8-21-12(17(23)18-9)7-11(20-21)16(22)19-10-5-13(24-2)15(26-4)14(6-10)25-3/h5-8H,1-4H3,(H,18,23)(H,19,22).
What are the key properties of 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(3,4,5-trimethoxyphenyl)-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).