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

C21H26ClN3O2 — CID 3046951

IUPAC2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)nc2OCCN(C)C)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-16-5-9-18(10-6-16)24-15-20(17-7-11-19(25-4)12-8-17)21(22-24)26-14-13-23(2)3;/h5-12,15H,13-14H2,1-4H3;1H
InChIKeyUWLMIBWSSORRRN-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.22
Rot. Bonds7

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

2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 3046951) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID3046951
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)nc2OCCN(C)C)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-16-5-9-18(10-6-16)24-15-20(17-7-11-19(25-4)12-8-17)21(22-24)26-14-13-23(2)3;/h5-12,15H,13-14H2,1-4H3;1H
InChIKeyUWLMIBWSSORRRN-UHFFFAOYSA-N
XLogP4.22
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride (CID 3046951) is 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride is COc1ccc(-c2cn(-c3ccc(C)cc3)nc2OCCN(C)C)cc1.Cl.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is UWLMIBWSSORRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-16-5-9-18(10-6-16)24-15-20(17-7-11-19(25-4)12-8-17)21(22-24)26-14-13-23(2)3;/h5-12,15H,13-14H2,1-4H3;1H.
What are the key properties of 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3046951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).