3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one

C11H13N3O3 — CID 155009662

IUPAC3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one
SMILESCOCc1c(-c2ccc(O)c(=O)[nH]2)cnn1C
InChIInChI=1S/C11H13N3O3/c1-14-9(6-17-2)7(5-12-14)8-3-4-10(15)11(16)13-8/h3-5,15H,6H2,1-2H3,(H,13,16)
InChIKeyMVPQMIZFTRYLSN-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.63
Rot. Bonds3

About 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one

3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one (PubChem CID 155009662) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one
PubChem CID155009662
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one
SMILESCOCc1c(-c2ccc(O)c(=O)[nH]2)cnn1C
InChIInChI=1S/C11H13N3O3/c1-14-9(6-17-2)7(5-12-14)8-3-4-10(15)11(16)13-8/h3-5,15H,6H2,1-2H3,(H,13,16)
InChIKeyMVPQMIZFTRYLSN-UHFFFAOYSA-N
XLogP0.63
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]naphthalen-2-ol
CID 167849922
4-chloro-5-(methoxymethyl)-1-methylpyrazole
CID 19779911
N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]formamide
CID 139312698
6-[5-(aminomethyl)-1-methylpyrazol-4-yl]-2-methylpyridin-3-ol
CID 139312726
2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423482
2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
CID 117291763
3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224852
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
5-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116629806
methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate
CID 117443960
1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
CID 82361555
2-methylpropyl N-[[4-(5-hydroxy-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]methyl]carbamate
CID 139312690

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one (CID 155009662) is 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one is COCc1c(-c2ccc(O)c(=O)[nH]2)cnn1C.
What is the InChIKey of 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one?
The InChIKey is MVPQMIZFTRYLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-14-9(6-17-2)7(5-12-14)8-3-4-10(15)11(16)13-8/h3-5,15H,6H2,1-2H3,(H,13,16).
What are the key properties of 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one?
3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one has a molecular weight of 235.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 155009662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).