3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride

C20H24ClN3O — CID 3046963

IUPAC3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-22(2)14-9-15-24-20-19(17-10-5-3-6-11-17)16-23(21-20)18-12-7-4-8-13-18;/h3-8,10-13,16H,9,14-15H2,1-2H3;1H
InChIKeyMVIPINMVHDMINX-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.29
Rot. Bonds7

About 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride

3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 3046963) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID3046963
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-22(2)14-9-15-24-20-19(17-10-5-3-6-11-17)16-23(21-20)18-12-7-4-8-13-18;/h3-8,10-13,16H,9,14-15H2,1-2H3;1H
InChIKeyMVIPINMVHDMINX-UHFFFAOYSA-N
XLogP4.29
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride (CID 3046963) is 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl.
What is the InChIKey of 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is MVIPINMVHDMINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-22(2)14-9-15-24-20-19(17-10-5-3-6-11-17)16-23(21-20)18-12-7-4-8-13-18;/h3-8,10-13,16H,9,14-15H2,1-2H3;1H.
What are the key properties of 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride?
3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3046963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).