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

C16H16N4O4 — CID 91891178

IUPACN-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1OC
InChIInChI=1S/C16H16N4O4/c1-9-8-20-12(16(22)17-9)7-11(19-20)15(21)18-10-4-5-13(23-2)14(6-10)24-3/h4-8H,1-3H3,(H,17,22)(H,18,21)
InChIKeyWAAFZBQJUXEALU-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.60
Rot. Bonds4

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

N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891178) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891178
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1OC
InChIInChI=1S/C16H16N4O4/c1-9-8-20-12(16(22)17-9)7-11(19-20)15(21)18-10-4-5-13(23-2)14(6-10)24-3/h4-8H,1-3H3,(H,17,22)(H,18,21)
InChIKeyWAAFZBQJUXEALU-UHFFFAOYSA-N
XLogP1.60
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 11837959
1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 2815847
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 19553861
N-(2H-1,3-Benzodioxol-5-YL)-3-(3,5-dimethyl-1H-pyrazol-1-YL)butanamide
CID 24792833
N,N'-bis(3-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
CID 659446
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-nitro-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 841484
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
4-Chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511740
3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 3361479
N-(1,3-benzodioxol-5-yl)-4-nitro-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1225758
4-({[(3,4-dimethoxyphenyl)amino]carbonothioyl}amino)-1-ethyl-1H-pyrazole-5-carboxamide
CID 970297
N,N'-bis(3-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxamide
CID 1166415

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891178) is N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is WAAFZBQJUXEALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-9-8-20-12(16(22)17-9)7-11(19-20)15(21)18-10-4-5-13(23-2)14(6-10)24-3/h4-8H,1-3H3,(H,17,22)(H,18,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).