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

C22H28ClN3O3 — CID 3046975

IUPAC3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCCN(C)C)cc1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-24(2)14-5-15-28-22-21(17-6-10-19(26-3)11-7-17)16-25(23-22)18-8-12-20(27-4)13-9-18;/h6-13,16H,5,14-15H2,1-4H3;1H
InChIKeyVYJXSIXQYUWGAZ-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.31
Rot. Bonds9

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

3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 3046975) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID3046975
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCCN(C)C)cc1.Cl
InChIInChI=1S/C22H27N3O3.ClH/c1-24(2)14-5-15-28-22-21(17-6-10-19(26-3)11-7-17)16-25(23-22)18-8-12-20(27-4)13-9-18;/h6-13,16H,5,14-15H2,1-4H3;1H
InChIKeyVYJXSIXQYUWGAZ-UHFFFAOYSA-N
XLogP4.31
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 3046986
2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
CID 3046960
2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
CID 3046956
3-[3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
CID 73334278
2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
CID 3046994
3-chloro-1-(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyrazole
CID 141089729
2-[3-(dimethylamino)propoxy]-6-methoxypyridin-3-amine
CID 115321132
methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
CID 154148416
4-chloro-2-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidine
CID 133108737
3-(dimethylamino)propyl 2-(4-methoxyphenoxy)acetate;hydrochloride
CID 2928947
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
5-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrazol-3-yl]-2,3-dihydroinden-1-one
CID 141326499

Frequently Asked Questions

What is the IUPAC name of 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride (CID 3046975) is 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride is COc1ccc(-c2cn(-c3ccc(OC)cc3)nc2OCCCN(C)C)cc1.Cl.
What is the InChIKey of 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is VYJXSIXQYUWGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3.ClH/c1-24(2)14-5-15-28-22-21(17-6-10-19(26-3)11-7-17)16-25(23-22)18-8-12-20(27-4)13-9-18;/h6-13,16H,5,14-15H2,1-4H3;1H.
What are the key properties of 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride?
3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3046975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).