1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid

C18H17N3O5 — CID 50972951

IUPAC1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid
SMILESCOCc1cc(Cn2cc(Oc3ccccc3)c(=O)c(C(=O)O)c2)[nH]n1
InChIInChI=1S/C18H17N3O5/c1-25-11-13-7-12(19-20-13)8-21-9-15(18(23)24)17(22)16(10-21)26-14-5-3-2-4-6-14/h2-7,9-10H,8,11H2,1H3,(H,19,20)(H,23,24)
InChIKeyQOOKGFJMAIXFIT-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.26
Rot. Bonds7

About 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid

1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid (PubChem CID 50972951) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid
PubChem CID50972951
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid
SMILESCOCc1cc(Cn2cc(Oc3ccccc3)c(=O)c(C(=O)O)c2)[nH]n1
InChIInChI=1S/C18H17N3O5/c1-25-11-13-7-12(19-20-13)8-21-9-15(18(23)24)17(22)16(10-21)26-14-5-3-2-4-6-14/h2-7,9-10H,8,11H2,1H3,(H,19,20)(H,23,24)
InChIKeyQOOKGFJMAIXFIT-UHFFFAOYSA-N
XLogP2.26
TPSA106.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid?
The IUPAC name of 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid (CID 50972951) is 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid is COCc1cc(Cn2cc(Oc3ccccc3)c(=O)c(C(=O)O)c2)[nH]n1.
What is the InChIKey of 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid?
The InChIKey is QOOKGFJMAIXFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-25-11-13-7-12(19-20-13)8-21-9-15(18(23)24)17(22)16(10-21)26-14-5-3-2-4-6-14/h2-7,9-10H,8,11H2,1H3,(H,19,20)(H,23,24).
What are the key properties of 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid?
1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-oxo-5-phenoxypyridine-3-carboxylic acid is sourced from PubChem (CID 50972951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).