2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride

C20H23Cl2N3O2 — CID 3046933

IUPAC2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-23(2)12-13-26-20-19(15-4-6-16(21)7-5-15)14-24(22-20)17-8-10-18(25-3)11-9-17;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyUMOAIXWJUVCHLL-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.56
Rot. Bonds7

About 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride

2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 3046933) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID3046933
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-23(2)12-13-26-20-19(15-4-6-16(21)7-5-15)14-24(22-20)17-8-10-18(25-3)11-9-17;/h4-11,14H,12-13H2,1-3H3;1H
InChIKeyUMOAIXWJUVCHLL-UHFFFAOYSA-N
XLogP4.56
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride (CID 3046933) is 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride is COc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1.Cl.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is UMOAIXWJUVCHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2.ClH/c1-23(2)12-13-26-20-19(15-4-6-16(21)7-5-15)14-24(22-20)17-8-10-18(25-3)11-9-17;/h4-11,14H,12-13H2,1-3H3;1H.
What are the key properties of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3046933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).