2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid

C13H15N3O2 — CID 113378224

IUPAC2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H15N3O2/c1-7-5-11(13(17)18)6-12(14-7)16-10(4)8(2)9(3)15-16/h5-6H,1-4H3,(H,17,18)
InChIKeyNBYHJPSNKROKMB-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.20
Rot. Bonds2

About 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid

2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 113378224) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID113378224
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C13H15N3O2/c1-7-5-11(13(17)18)6-12(14-7)16-10(4)8(2)9(3)15-16/h5-6H,1-4H3,(H,17,18)
InChIKeyNBYHJPSNKROKMB-UHFFFAOYSA-N
XLogP2.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methanol
CID 113378780
2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 114410077
4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid
CID 63263044
2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 113417713
2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)benzoic acid
CID 62134606
2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 102716260
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 113378624
2-methyl-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114271864
2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 106773470
2-amino-5-(3,4,5-trimethylpyrazol-1-yl)benzoic acid
CID 61237756
1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
CID 134397701
[2-methylsulfanyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80902171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 113378224) is 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is NBYHJPSNKROKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7-5-11(13(17)18)6-12(14-7)16-10(4)8(2)9(3)15-16/h5-6H,1-4H3,(H,17,18).
What are the key properties of 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid?
2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 113378224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).