1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid

C11H11N3O2 — CID 130298592

IUPAC1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cn(C)nc2C(=O)O)nc1
InChIInChI=1S/C11H11N3O2/c1-7-3-4-9(12-5-7)8-6-14(2)13-10(8)11(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyAEVKBILPKCVTIS-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.49
Rot. Bonds2

About 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid

1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 130298592) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID130298592
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cn(C)nc2C(=O)O)nc1
InChIInChI=1S/C11H11N3O2/c1-7-3-4-9(12-5-7)8-6-14(2)13-10(8)11(15)16/h3-6H,1-2H3,(H,15,16)
InChIKeyAEVKBILPKCVTIS-UHFFFAOYSA-N
XLogP1.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid
CID 130298551
1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid
CID 130298603
4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 127255845
[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
CID 147744852
4-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 83647480
2-(5-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid
CID 71743310
4-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 83645102
1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazole-3-carboxylic acid
CID 122558338
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 122567754
4-(4-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 170457601
(4-chlorophenyl)-[6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]methanone
CID 143373797
1-methyl-4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazole-3-carboxylic acid
CID 118072863

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid (CID 130298592) is 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid is Cc1ccc(-c2cn(C)nc2C(=O)O)nc1.
What is the InChIKey of 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is AEVKBILPKCVTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-3-4-9(12-5-7)8-6-14(2)13-10(8)11(15)16/h3-6H,1-2H3,(H,15,16).
What are the key properties of 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid?
1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 130298592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).