4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid

C13H15N3O3 — CID 62862101

IUPAC4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCn2cccn2)c(=O)c1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-9-8-10(2)16(12(17)11(9)13(18)19)7-6-15-5-3-4-14-15/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyZBVOEEPCXIEFDU-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.06
Rot. Bonds4

About 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid

4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid (PubChem CID 62862101) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid
PubChem CID62862101
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCn2cccn2)c(=O)c1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-9-8-10(2)16(12(17)11(9)13(18)19)7-6-15-5-3-4-14-15/h3-5,8H,6-7H2,1-2H3,(H,18,19)
InChIKeyZBVOEEPCXIEFDU-UHFFFAOYSA-N
XLogP1.06
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-oxo-1-(2-phenylsulfanylethyl)pyridine-3-carboxylic acid
CID 79228040
4,6-dimethyl-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 62874526
4,6-dimethyl-2-oxo-1-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxylic acid
CID 62861236
4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid
CID 62861060
2-[5-methyl-1-(2-pyrazol-1-ylethyl)imidazol-2-yl]sulfanylacetic acid
CID 81337647
2-methyl-1-(2-pyrazol-1-ylethyl)indole
CID 63810804
4,6-dimethyl-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 62861933
3-methyl-4-(2-pyrazol-1-ylethyl)-1H-1,2,4-triazol-5-one
CID 126953689
5-tert-butyl-1-(2-pyrazol-1-ylethyl)triazole-4-carboxylic acid
CID 62059141
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
3-methyl-5-(pyrazol-1-ylmethyl)furan-2-carboxylic acid
CID 43620929
5-amino-1-ethyl-3-(2-pyrazol-1-ylethyl)pyrimidine-2,4-dione
CID 63799585

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid (CID 62862101) is 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid is Cc1cc(C)n(CCn2cccn2)c(=O)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid?
The InChIKey is ZBVOEEPCXIEFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-8-10(2)16(12(17)11(9)13(18)19)7-6-15-5-3-4-14-15/h3-5,8H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid?
4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62862101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).