3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

C11H11N3O2 — CID 63073046

IUPAC3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1cnn(Cc2cccnc2C(=O)O)c1
InChIInChI=1S/C11H11N3O2/c1-8-5-13-14(6-8)7-9-3-2-4-12-10(9)11(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyWMCAGPUYUIMUFX-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.33
Rot. Bonds3

About 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid

3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 63073046) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID63073046
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1cnn(Cc2cccnc2C(=O)O)c1
InChIInChI=1S/C11H11N3O2/c1-8-5-13-14(6-8)7-9-3-2-4-12-10(9)11(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyWMCAGPUYUIMUFX-UHFFFAOYSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrazol-1-ylmethyl)pyridine-2-carboxylic acid
CID 63073383
N-methyl-3-[(4-methylpyrazol-1-yl)methyl]pyridin-2-amine
CID 62465092
3-[(4-methylpyrazol-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075387
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
4-fluoro-2-[(4-methylpyrazol-1-yl)methyl]benzoic acid
CID 104651148
5-fluoro-2-[(4-methylpyrazol-1-yl)methyl]benzoic acid
CID 55172128
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
3-(methylsulfonylmethyl)pyridine-2-carboxylic acid
CID 153267401
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 154466763
2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid
CID 60873102

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid (CID 63073046) is 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is Cc1cnn(Cc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is WMCAGPUYUIMUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8-5-13-14(6-8)7-9-3-2-4-12-10(9)11(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid?
3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63073046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).