1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid

C12H13N3O4 — CID 114207556

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESCc1nn(C)cc1Cn1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C12H13N3O4/c1-7-8(5-14(2)13-7)6-15-10(12(18)19)3-9(16)4-11(15)17/h3-5,16H,6H2,1-2H3,(H,18,19)
InChIKeyALEJPEWTGSMFFM-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.34
Rot. Bonds3

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid (PubChem CID 114207556) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid
PubChem CID114207556
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid
SMILESCc1nn(C)cc1Cn1c(C(=O)O)cc(O)cc1=O
InChIInChI=1S/C12H13N3O4/c1-7-8(5-14(2)13-7)6-15-10(12(18)19)3-9(16)4-11(15)17/h3-5,16H,6H2,1-2H3,(H,18,19)
InChIKeyALEJPEWTGSMFFM-UHFFFAOYSA-N
XLogP0.34
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-[(1-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207633
4-hydroxy-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207480
4-hydroxy-1-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207382
4-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 164820291
3-[(1,3-dimethylpyrazol-4-yl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115990309
4-hydroxy-6-oxo-1-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxylic acid
CID 114207490
4-hydroxy-1-[(1-methylpyrrolidin-2-yl)methyl]-6-oxopyridine-2-carboxylic acid
CID 114207651
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
1-(2-cyclopentylethyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207432
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
4-(azetidin-1-ylmethyl)-1,3-dimethylpyrazole
CID 130652971
(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 125425002

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid (CID 114207556) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid is Cc1nn(C)cc1Cn1c(C(=O)O)cc(O)cc1=O.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid?
The InChIKey is ALEJPEWTGSMFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-8(5-14(2)13-7)6-15-10(12(18)19)3-9(16)4-11(15)17/h3-5,16H,6H2,1-2H3,(H,18,19).
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-hydroxy-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114207556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).