5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid

C13H14ClN3O3 — CID 79794426

IUPAC5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid
SMILESCCc1nn(C)c(COc2ccc(C(=O)O)nc2)c1Cl
InChIInChI=1S/C13H14ClN3O3/c1-3-9-12(14)11(17(2)16-9)7-20-8-4-5-10(13(18)19)15-6-8/h4-6H,3,7H2,1-2H3,(H,18,19)
InChIKeyRTRXWDFKGDSYHM-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.31
Rot. Bonds5

About 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid

5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid (PubChem CID 79794426) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid
PubChem CID79794426
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid
SMILESCCc1nn(C)c(COc2ccc(C(=O)O)nc2)c1Cl
InChIInChI=1S/C13H14ClN3O3/c1-3-9-12(14)11(17(2)16-9)7-20-8-4-5-10(13(18)19)15-6-8/h4-6H,3,7H2,1-2H3,(H,18,19)
InChIKeyRTRXWDFKGDSYHM-UHFFFAOYSA-N
XLogP2.31
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-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

2-amino-5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoic acid
CID 107076819
2-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107709411
(1R)-1-[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 79025841
4-amino-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoic acid
CID 106954926
5-[(2-methyltetrazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 107043205
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
1-[5-amino-2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanone
CID 116541100
[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol
CID 79800276
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 79794515
5-(2,5-dimethylpyrazol-3-yl)oxypyridine-2-carboxylic acid
CID 115491170

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid (CID 79794426) is 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid is CCc1nn(C)c(COc2ccc(C(=O)O)nc2)c1Cl.
What is the InChIKey of 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is RTRXWDFKGDSYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-3-9-12(14)11(17(2)16-9)7-20-8-4-5-10(13(18)19)15-6-8/h4-6H,3,7H2,1-2H3,(H,18,19).
What are the key properties of 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid?
5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 295.73 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 79794426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).