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

C20H22ClN3O2 — CID 3046934

IUPAC2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1
InChIInChI=1S/C20H22ClN3O2/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
InChIKeyXSKXVYPZFFCSMG-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.14
Rot. Bonds7

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

2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 3046934) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID3046934
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1
InChIInChI=1S/C20H22ClN3O2/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
InChIKeyXSKXVYPZFFCSMG-UHFFFAOYSA-N
XLogP4.14
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.14
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?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine (CID 3046934) is 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine is COc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is XSKXVYPZFFCSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/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.
What are the key properties of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 371.87 g/mol, XLogP of 4.14, 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 is sourced from PubChem (CID 3046934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).