3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid

C15H17N3O4 — CID 175581630

IUPAC3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid
SMILESCc1c(-c2cnn(C3CCOCC3)c2)cnc(C(=O)O)c1O
InChIInChI=1S/C15H17N3O4/c1-9-12(7-16-13(14(9)19)15(20)21)10-6-17-18(8-10)11-2-4-22-5-3-11/h6-8,11,19H,2-5H2,1H3,(H,20,21)
InChIKeyNSOGUCCCQAERHJ-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.01
Rot. Bonds3

About 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid

3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 175581630) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid
PubChem CID175581630
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid
SMILESCc1c(-c2cnn(C3CCOCC3)c2)cnc(C(=O)O)c1O
InChIInChI=1S/C15H17N3O4/c1-9-12(7-16-13(14(9)19)15(20)21)10-6-17-18(8-10)11-2-4-22-5-3-11/h6-8,11,19H,2-5H2,1H3,(H,20,21)
InChIKeyNSOGUCCCQAERHJ-UHFFFAOYSA-N
XLogP2.01
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-cyclohexylpyrazol-4-yl)-3-methylpyridine-2-carboxylic acid
CID 171365297
4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]-3-phenylmethoxypyridine-2-carbonitrile
CID 162731710
5-methyl-2-[(E)-2-[1-(oxan-4-yl)pyrazol-4-yl]ethenyl]-1,3-thiazole-4-carboxylic acid
CID 166273774
[2,6-dimethyl-4-[1-(oxan-4-yl)pyrazol-4-yl]phenyl]methanol
CID 172876873
1-[1-[2-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-pyridinyl]piperidin-4-yl]ethanol
CID 172626207
1-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674967
3-(difluoromethoxy)-5-[1-(oxan-4-yl)pyrazol-4-yl]benzoic acid
CID 171382876
2-(1-cyclopropylpyrazol-4-yl)-5-ethylsulfonyl-1-methylimidazole-4-carboxylic acid
CID 162739763
5-(1-methylpyrazol-4-yl)-1-(oxan-4-yl)triazole-4-carboxylic acid
CID 103115225
10-methoxy-9-[1-(oxan-4-yl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 146440170
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid (CID 175581630) is 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid is Cc1c(-c2cnn(C3CCOCC3)c2)cnc(C(=O)O)c1O.
What is the InChIKey of 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is NSOGUCCCQAERHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-9-12(7-16-13(14(9)19)15(20)21)10-6-17-18(8-10)11-2-4-22-5-3-11/h6-8,11,19H,2-5H2,1H3,(H,20,21).
What are the key properties of 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid?
3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 175581630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).