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

C21H26ClN3O3 — CID 3046929

IUPAC2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCN(C)C)cc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-23(2)13-14-27-21-20(16-5-9-18(25-3)10-6-16)15-24(22-21)17-7-11-19(26-4)12-8-17;/h5-12,15H,13-14H2,1-4H3;1H
InChIKeyVEYNTCHWLTXXGP-UHFFFAOYSA-N
MW403.91 g/mol
LogP3.92
Rot. Bonds8

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

2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 3046929) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID3046929
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCN(C)C)cc1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-23(2)13-14-27-21-20(16-5-9-18(25-3)10-6-16)15-24(22-21)17-7-11-19(26-4)12-8-17;/h5-12,15H,13-14H2,1-4H3;1H
InChIKeyVEYNTCHWLTXXGP-UHFFFAOYSA-N
XLogP3.92
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride (CID 3046929) is 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride is COc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCN(C)C)cc1.Cl.
What is the InChIKey of 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is VEYNTCHWLTXXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-23(2)13-14-27-21-20(16-5-9-18(25-3)10-6-16)15-24(22-21)17-7-11-19(26-4)12-8-17;/h5-12,15H,13-14H2,1-4H3;1H.
What are the key properties of 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride?
2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3046929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).