(2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid

C18H20Cl2N2O4 — CID 68713039

IUPAC(2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid
SMILESCCc1c(C2CC2)nn(C)c1Oc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4/c1-4-11-16(10-5-6-10)21-22(3)17(11)26-15-8-14(12(19)7-13(15)20)25-9(2)18(23)24/h7-10H,4-6H2,1-3H3,(H,23,24)/t9-/m0/s1
InChIKeyGNELILAXSVLSRB-VIFPVBQESA-N
MW399.27 g/mol
LogP4.81
Rot. Bonds7

About (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid

(2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid (PubChem CID 68713039) has the molecular formula C18H20Cl2N2O4 and a molecular weight of 399.27 g/mol. Its IUPAC name is (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid
PubChem CID68713039
Molecular FormulaC18H20Cl2N2O4
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name(2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid
SMILESCCc1c(C2CC2)nn(C)c1Oc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4/c1-4-11-16(10-5-6-10)21-22(3)17(11)26-15-8-14(12(19)7-13(15)20)25-9(2)18(23)24/h7-10H,4-6H2,1-3H3,(H,23,24)/t9-/m0/s1
InChIKeyGNELILAXSVLSRB-VIFPVBQESA-N
XLogP4.81
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid?
The IUPAC name of (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid (CID 68713039) is (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid is CCc1c(C2CC2)nn(C)c1Oc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid?
The InChIKey is GNELILAXSVLSRB-VIFPVBQESA-N. The full InChI is InChI=1S/C18H20Cl2N2O4/c1-4-11-16(10-5-6-10)21-22(3)17(11)26-15-8-14(12(19)7-13(15)20)25-9(2)18(23)24/h7-10H,4-6H2,1-3H3,(H,23,24)/t9-/m0/s1.
What are the key properties of (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid?
(2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid has a molecular weight of 399.27 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2,4-dichloro-5-(5-cyclopropyl-4-ethyl-2-methylpyrazol-3-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 68713039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).