2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid

C12H11ClN2O3 — CID 115055528

IUPAC2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(Oc2ccc(Cl)cc2)cnn1CC(=O)O
InChIInChI=1S/C12H11ClN2O3/c1-8-11(6-14-15(8)7-12(16)17)18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,16,17)
InChIKeyWJTKPJHEDZYWGK-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid

2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid (PubChem CID 115055528) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid
PubChem CID115055528
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid
SMILESCc1c(Oc2ccc(Cl)cc2)cnn1CC(=O)O
InChIInChI=1S/C12H11ClN2O3/c1-8-11(6-14-15(8)7-12(16)17)18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,16,17)
InChIKeyWJTKPJHEDZYWGK-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-hydroxyphenoxy)-5-methylpyrazol-1-yl]acetic acid
CID 115055555
2-[4-(3-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid
CID 115055458
2-[4-(1,5-dimethylpyrazol-4-yl)oxyphenyl]acetic acid
CID 115055262
5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
CID 166162785
2-[4-(4-chlorophenoxy)-1,3-dioxoisoindol-2-yl]acetic acid
CID 752168
4-[3-(4-chlorophenoxy)-2-methylphenoxy]butanoic acid
CID 175360450
4-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]piperidine
CID 115055523
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400
5-[(4-chloro-5-methylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 114012248
2-[4-[[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]sulfonyl-methylamino]-4,5,6,7-tetrahydroindazol-1-yl]acetic acid
CID 66782541
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]acetamide
CID 19517803

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid (CID 115055528) is 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid is Cc1c(Oc2ccc(Cl)cc2)cnn1CC(=O)O.
What is the InChIKey of 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid?
The InChIKey is WJTKPJHEDZYWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-8-11(6-14-15(8)7-12(16)17)18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid?
2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid has a molecular weight of 266.68 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)-5-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 115055528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).