4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid

C11H11N3O2 — CID 144691500

IUPAC4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(C)nc(-c2cn[nH]c2C(=O)O)c1
InChIInChI=1S/C11H11N3O2/c1-6-3-7(2)13-9(4-6)8-5-12-14-10(8)11(15)16/h3-5H,1-2H3,(H,12,14)(H,15,16)
InChIKeyZVTIZSLUWWLXDC-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.79
Rot. Bonds2

About 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid

4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 144691500) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
PubChem CID144691500
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(C)nc(-c2cn[nH]c2C(=O)O)c1
InChIInChI=1S/C11H11N3O2/c1-6-3-7(2)13-9(4-6)8-5-12-14-10(8)11(15)16/h3-5H,1-2H3,(H,12,14)(H,15,16)
InChIKeyZVTIZSLUWWLXDC-UHFFFAOYSA-N
XLogP1.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

amino 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylate
CID 144691403
4-(6-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylic acid
CID 144691311
4-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83640390
4-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 83637973
4-pyridazin-3-yl-1H-pyrazole-5-carboxylic acid
CID 144691280
4-[4-methyl-7-(2-methyl-5-oxopyrrolidin-1-yl)quinolin-2-yl]-1H-pyrazole-5-carboxylic acid
CID 171914668
1H-pyrazole-4,5-dicarboxylic acid
CID 3998064
3-(5-methyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 83395844
4-(6-methylpyrazin-2-yl)-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 144691315
4-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 105423770
6-(5-methyl-1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 118172974
4-ethoxycarbonyl-1H-pyrazole-5-carboxylic acid
CID 19599802

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid (CID 144691500) is 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid is Cc1cc(C)nc(-c2cn[nH]c2C(=O)O)c1.
What is the InChIKey of 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZVTIZSLUWWLXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6-3-7(2)13-9(4-6)8-5-12-14-10(8)11(15)16/h3-5H,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid?
4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 144691500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).