3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid

C15H18N2O3 — CID 82826423

IUPAC3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
SMILESCCc1cc(COc2cccc(C(=O)O)c2C)n(C)n1
InChIInChI=1S/C15H18N2O3/c1-4-11-8-12(17(3)16-11)9-20-14-7-5-6-13(10(14)2)15(18)19/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeySSXQHABKCDVHSE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.57
Rot. Bonds5

About 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid

3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid (PubChem CID 82826423) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
PubChem CID82826423
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid
SMILESCCc1cc(COc2cccc(C(=O)O)c2C)n(C)n1
InChIInChI=1S/C15H18N2O3/c1-4-11-8-12(17(3)16-11)9-20-14-7-5-6-13(10(14)2)15(18)19/h5-8H,4,9H2,1-3H3,(H,18,19)
InChIKeySSXQHABKCDVHSE-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 77125357
2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 82826501
2-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzoic acid
CID 82827376
methyl 5-amino-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]benzoate
CID 106955798
5-[(2-hydroxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 117217155
N-[1-[2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 77125349
2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid
CID 107014090
2-amino-6-[(1,3-diethylpyrazol-5-yl)methoxy]benzoic acid
CID 107341422
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
CID 82810212
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
CID 82826882
[3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79150480
3-(furan-3-ylmethoxy)-2-methylbenzoic acid
CID 83171984

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid (CID 82826423) is 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid is CCc1cc(COc2cccc(C(=O)O)c2C)n(C)n1.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid?
The InChIKey is SSXQHABKCDVHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-11-8-12(17(3)16-11)9-20-14-7-5-6-13(10(14)2)15(18)19/h5-8H,4,9H2,1-3H3,(H,18,19).
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid?
3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-methylbenzoic acid is sourced from PubChem (CID 82826423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).