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

C16H16N4O3 — CID 91891187

IUPACN-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)c1
InChIInChI=1S/C16H16N4O3/c1-10-9-20-14(16(22)18-10)7-13(19-20)15(21)17-8-11-4-3-5-12(6-11)23-2/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyMOJQWQDKWVGIPF-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.27
Rot. Bonds4

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

N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891187) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891187
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)c1
InChIInChI=1S/C16H16N4O3/c1-10-9-20-14(16(22)18-10)7-13(19-20)15(21)17-8-11-4-3-5-12(6-11)23-2/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyMOJQWQDKWVGIPF-UHFFFAOYSA-N
XLogP1.27
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891187) is N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is COc1cccc(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is MOJQWQDKWVGIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-9-20-14(16(22)18-10)7-13(19-20)15(21)17-8-11-4-3-5-12(6-11)23-2/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).