2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid

C17H20Cl2N2O4 — CID 68706924

IUPAC2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid
SMILESCCCc1c(C)nn(C)c1Oc1cc(OC(C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O4/c1-5-6-11-9(2)20-21(4)16(11)25-15-8-14(12(18)7-13(15)19)24-10(3)17(22)23/h7-8,10H,5-6H2,1-4H3,(H,22,23)
InChIKeyDANCRNKJFWTTNZ-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.63
Rot. Bonds7

About 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid

2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid (PubChem CID 68706924) has the molecular formula C17H20Cl2N2O4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid
PubChem CID68706924
Molecular FormulaC17H20Cl2N2O4
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC Name2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid
SMILESCCCc1c(C)nn(C)c1Oc1cc(OC(C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O4/c1-5-6-11-9(2)20-21(4)16(11)25-15-8-14(12(18)7-13(15)19)24-10(3)17(22)23/h7-8,10H,5-6H2,1-4H3,(H,22,23)
InChIKeyDANCRNKJFWTTNZ-UHFFFAOYSA-N
XLogP4.63
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid?
The IUPAC name of 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid (CID 68706924) is 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid is CCCc1c(C)nn(C)c1Oc1cc(OC(C)C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid?
The InChIKey is DANCRNKJFWTTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4/c1-5-6-11-9(2)20-21(4)16(11)25-15-8-14(12(18)7-13(15)19)24-10(3)17(22)23/h7-8,10H,5-6H2,1-4H3,(H,22,23).
What are the key properties of 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid?
2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid has a molecular weight of 387.26 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-5-(1,3-dimethyl-4-propylpyrazol-5-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 68706924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).