5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid

C14H16N2O3 — CID 82301521

IUPAC5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
SMILESCc1cccc(OCCn2nc(C)cc2C(=O)O)c1
InChIInChI=1S/C14H16N2O3/c1-10-4-3-5-12(8-10)19-7-6-16-13(14(17)18)9-11(2)15-16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)
InChIKeyJJWSROLQGYQTDS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.28
Rot. Bonds5

About 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid

5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid (PubChem CID 82301521) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
PubChem CID82301521
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
SMILESCc1cccc(OCCn2nc(C)cc2C(=O)O)c1
InChIInChI=1S/C14H16N2O3/c1-10-4-3-5-12(8-10)19-7-6-16-13(14(17)18)9-11(2)15-16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)
InChIKeyJJWSROLQGYQTDS-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562154
3-[2-(3-methyl-6-oxopyridazin-1-yl)ethoxy]benzoic acid
CID 62923349
2-(3-methylphenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 55307618
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide
CID 4795855
1-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenoxy)butan-1-one
CID 94281917
ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
CID 79317699
[5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzoate
CID 22769242
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188
5-tert-butyl-1-[3-(3-methylphenoxy)propyl]triazole-4-carboxylic acid
CID 94945157
3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid
CID 117190482
2-[2-(3-methylphenoxy)ethyl]pyrimidine-5-carboxylic acid
CID 82168732
1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 110638206

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid (CID 82301521) is 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid is Cc1cccc(OCCn2nc(C)cc2C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid?
The InChIKey is JJWSROLQGYQTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-4-3-5-12(8-10)19-7-6-16-13(14(17)18)9-11(2)15-16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid?
5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 82301521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).