5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole

C19H18Cl2N2O2 — CID 163778460

IUPAC5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole
SMILESCCc1c(COC)nn(-c2ccccc2)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-3-17-18(12-24-2)22-23(15-7-5-4-6-8-15)19(17)25-16-10-13(20)9-14(21)11-16/h4-11H,3,12H2,1-2H3
InChIKeyMMNNGPHTMGTCFT-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.68
Rot. Bonds6

About 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole

5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole (PubChem CID 163778460) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole
PubChem CID163778460
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole
SMILESCCc1c(COC)nn(-c2ccccc2)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-3-17-18(12-24-2)22-23(15-7-5-4-6-8-15)19(17)25-16-10-13(20)9-14(21)11-16/h4-11H,3,12H2,1-2H3
InChIKeyMMNNGPHTMGTCFT-UHFFFAOYSA-N
XLogP5.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole?
The IUPAC name of 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole (CID 163778460) is 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole.
What is the SMILES notation for 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole?
The canonical SMILES for 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole is CCc1c(COC)nn(-c2ccccc2)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole?
The InChIKey is MMNNGPHTMGTCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-3-17-18(12-24-2)22-23(15-7-5-4-6-8-15)19(17)25-16-10-13(20)9-14(21)11-16/h4-11H,3,12H2,1-2H3.
What are the key properties of 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole?
5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole has a molecular weight of 377.27 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenoxy)-4-ethyl-3-(methoxymethyl)-1-phenylpyrazole is sourced from PubChem (CID 163778460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).