1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one

C17H19N3O2 — CID 131984818

IUPAC1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one
SMILESCCn1ncc2c(=O)n(Cc3ccc(OC)cc3)c(C)cc21
InChIInChI=1S/C17H19N3O2/c1-4-20-16-9-12(2)19(17(21)15(16)10-18-20)11-13-5-7-14(22-3)8-6-13/h5-10H,4,11H2,1-3H3
InChIKeyLZTQRMBMZGEDRE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.58
Rot. Bonds4

About 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one

1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984818) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one
PubChem CID131984818
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one
SMILESCCn1ncc2c(=O)n(Cc3ccc(OC)cc3)c(C)cc21
InChIInChI=1S/C17H19N3O2/c1-4-20-16-9-12(2)19(17(21)15(16)10-18-20)11-13-5-7-14(22-3)8-6-13/h5-10H,4,11H2,1-3H3
InChIKeyLZTQRMBMZGEDRE-UHFFFAOYSA-N
XLogP2.58
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one (CID 131984818) is 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one is CCn1ncc2c(=O)n(Cc3ccc(OC)cc3)c(C)cc21.
What is the InChIKey of 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one?
The InChIKey is LZTQRMBMZGEDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-20-16-9-12(2)19(17(21)15(16)10-18-20)11-13-5-7-14(22-3)8-6-13/h5-10H,4,11H2,1-3H3.
What are the key properties of 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one?
1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one has a molecular weight of 297.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).