2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid

C14H16N2O3 — CID 107671163

IUPAC2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
SMILESCc1cc(OCCc2cnn(C)c2)ccc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-10-7-12(3-4-13(10)14(17)18)19-6-5-11-8-15-16(2)9-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyZVQYKYUFJOJMDS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.05
Rot. Bonds5

About 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid

2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid (PubChem CID 107671163) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
PubChem CID107671163
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
SMILESCc1cc(OCCc2cnn(C)c2)ccc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-10-7-12(3-4-13(10)14(17)18)19-6-5-11-8-15-16(2)9-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18)
InChIKeyZVQYKYUFJOJMDS-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic 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

4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
3-[2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 103012966
4-[2-[4-(3-chloroprop-1-ynyl)-3-methylphenoxy]ethyl]-1-methylpyrazole
CID 103012916
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103844540
2-methyl-4-(3-phenylpropoxy)benzoic acid
CID 81293485
trifluoro-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]boranuide
CID 103003926
(1-methylpyrazol-4-yl)methyl 3-(3,4-dimethylphenoxy)propanoate
CID 78850726
2-[2-(1-methylpyrazol-4-yl)ethoxy]-5-nitrobenzoic acid
CID 103002877
3-methyl-2-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 54929892
6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 103749474
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid?
The IUPAC name of 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid (CID 107671163) is 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid is Cc1cc(OCCc2cnn(C)c2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid?
The InChIKey is ZVQYKYUFJOJMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-7-12(3-4-13(10)14(17)18)19-6-5-11-8-15-16(2)9-11/h3-4,7-9H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid?
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid is sourced from PubChem (CID 107671163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).