3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid

C13H14N2O4 — CID 115055488

IUPAC3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
SMILESCOc1cccc(Oc2cnn(CCC(=O)O)c2)c1
InChIInChI=1S/C13H14N2O4/c1-18-10-3-2-4-11(7-10)19-12-8-14-15(9-12)6-5-13(16)17/h2-4,7-9H,5-6H2,1H3,(H,16,17)
InChIKeyYEYKJLCHHNSGCT-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.16
Rot. Bonds6

About 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid

3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid (PubChem CID 115055488) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
PubChem CID115055488
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid
SMILESCOc1cccc(Oc2cnn(CCC(=O)O)c2)c1
InChIInChI=1S/C13H14N2O4/c1-18-10-3-2-4-11(7-10)19-12-8-14-15(9-12)6-5-13(16)17/h2-4,7-9H,5-6H2,1H3,(H,16,17)
InChIKeyYEYKJLCHHNSGCT-UHFFFAOYSA-N
XLogP2.16
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(2-methylpropan-2-yl)oxy]pyrazol-1-yl]propanoic acid
CID 117125444
2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190487
3-[1-[2-(methylamino)ethyl]pyrazol-4-yl]oxyphenol
CID 117125332
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
CID 139033660
3-[1-(aminomethyl)pyrazol-4-yl]oxyphenol
CID 117125233
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
3-[4-(4-methoxyphenoxy)pyrazol-1-yl]propan-1-amine
CID 115055561
2-[4-(2-methylphenoxy)pyrazol-1-yl]acetic acid
CID 115038747
1-[4-(3-methoxyphenoxy)pyrazol-1-yl]-N-methylethanamine
CID 117125240
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
3-[4-(3-chlorophenoxy)pyrazol-1-yl]propan-1-amine
CID 115055461

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid (CID 115055488) is 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid is COc1cccc(Oc2cnn(CCC(=O)O)c2)c1.
What is the InChIKey of 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid?
The InChIKey is YEYKJLCHHNSGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-10-3-2-4-11(7-10)19-12-8-14-15(9-12)6-5-13(16)17/h2-4,7-9H,5-6H2,1H3,(H,16,17).
What are the key properties of 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid?
3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxyphenoxy)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 115055488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).