4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid

C15H18N2O4 — CID 61491942

IUPAC4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid
SMILESCCCOc1ccc(C(=O)O)c(OCCn2cccn2)c1
InChIInChI=1S/C15H18N2O4/c1-2-9-20-12-4-5-13(15(18)19)14(11-12)21-10-8-17-7-3-6-16-17/h3-7,11H,2,8-10H2,1H3,(H,18,19)
InChIKeyLODAXBUPBZBRGF-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.45
Rot. Bonds8

About 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid

4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid (PubChem CID 61491942) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid
PubChem CID61491942
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid
SMILESCCCOc1ccc(C(=O)O)c(OCCn2cccn2)c1
InChIInChI=1S/C15H18N2O4/c1-2-9-20-12-4-5-13(15(18)19)14(11-12)21-10-8-17-7-3-6-16-17/h3-7,11H,2,8-10H2,1H3,(H,18,19)
InChIKeyLODAXBUPBZBRGF-UHFFFAOYSA-N
XLogP2.45
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-propoxy-4-(trifluoromethoxy)benzoic acid
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2-cyclopentyloxy-4-propoxybenzoic acid
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5-propoxy-1-(2-pyrazol-1-ylethyl)indole
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2-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-4-propoxybenzoic acid
CID 43472370
2-methoxy-5-propoxybenzoic acid
CID 82265622
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
2-amino-5-propoxybenzoic acid
CID 12719187
[5-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]boronic acid
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N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid?
The IUPAC name of 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid (CID 61491942) is 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid.
What is the SMILES notation for 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid?
The canonical SMILES for 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid is CCCOc1ccc(C(=O)O)c(OCCn2cccn2)c1.
What is the InChIKey of 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid?
The InChIKey is LODAXBUPBZBRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-9-20-12-4-5-13(15(18)19)14(11-12)21-10-8-17-7-3-6-16-17/h3-7,11H,2,8-10H2,1H3,(H,18,19).
What are the key properties of 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid?
4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-2-(2-pyrazol-1-ylethoxy)benzoic acid is sourced from PubChem (CID 61491942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).