6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid

C11H11N3O3 — CID 116792096

IUPAC6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid
SMILESCn1cc(OCc2ccc(C(=O)O)cn2)cn1
InChIInChI=1S/C11H11N3O3/c1-14-6-10(5-13-14)17-7-9-3-2-8(4-12-9)11(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyUOASDPBTIHLBJD-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.09
Rot. Bonds4

About 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid

6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid (PubChem CID 116792096) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid
PubChem CID116792096
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid
SMILESCn1cc(OCc2ccc(C(=O)O)cn2)cn1
InChIInChI=1S/C11H11N3O3/c1-14-6-10(5-13-14)17-7-9-3-2-8(4-12-9)11(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyUOASDPBTIHLBJD-UHFFFAOYSA-N
XLogP1.09
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[4-(2-oxopropyl)phenoxy]methyl]pyridine-3-carboxylic acid
CID 115493828
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
3-methyl-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792565
1-methyl-4-phenylmethoxypyrazole
CID 84661432
N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine
CID 116793594
3-amino-4-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793241
4-(1-methylpyrazole-4-carbonyl)oxybenzoic acid
CID 95732758
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]benzoic acid
CID 102765633

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid (CID 116792096) is 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid is Cn1cc(OCc2ccc(C(=O)O)cn2)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid?
The InChIKey is UOASDPBTIHLBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-14-6-10(5-13-14)17-7-9-3-2-8(4-12-9)11(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid?
6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 116792096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).