2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid

C19H18N2O5 — CID 58806820

IUPAC2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
SMILESCOc1ccc(-n2nc(OC)cc2-c2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C19H18N2O5/c1-24-15-9-5-14(6-10-15)21-17(11-18(20-21)25-2)13-3-7-16(8-4-13)26-12-19(22)23/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyVRIPVRJJIIXCFX-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.02
Rot. Bonds7

About 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid

2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid (PubChem CID 58806820) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
PubChem CID58806820
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
SMILESCOc1ccc(-n2nc(OC)cc2-c2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C19H18N2O5/c1-24-15-9-5-14(6-10-15)21-17(11-18(20-21)25-2)13-3-7-16(8-4-13)26-12-19(22)23/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyVRIPVRJJIIXCFX-UHFFFAOYSA-N
XLogP3.02
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl] acetate
CID 150185883
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
ethyl 2-[5-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazol-3-yl]oxyacetate
CID 46901523
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylacetamide
CID 58806574
2-amino-3-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]propanoic acid
CID 58806632
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
CID 174579266
N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091096
[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]carbamic acid
CID 21090964
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779
4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]benzonitrile
CID 21090930

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid (CID 58806820) is 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid is COc1ccc(-n2nc(OC)cc2-c2ccc(OCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid?
The InChIKey is VRIPVRJJIIXCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-15-9-5-14(6-10-15)21-17(11-18(20-21)25-2)13-3-7-16(8-4-13)26-12-19(22)23/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid?
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid has a molecular weight of 354.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 58806820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).