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

C19H22ClN3O — CID 3047015

IUPAC3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-20-13-8-14-23-19-18(16-9-4-2-5-10-16)15-22(21-19)17-11-6-3-7-12-17;/h2-7,9-12,15,20H,8,13-14H2,1H3;1H
InChIKeyODENGLRUUWSWMF-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.95
Rot. Bonds7

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

3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride (PubChem CID 3047015) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride
PubChem CID3047015
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride
SMILESCNCCCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-20-13-8-14-23-19-18(16-9-4-2-5-10-16)15-22(21-19)17-11-6-3-7-12-17;/h2-7,9-12,15,20H,8,13-14H2,1H3;1H
InChIKeyODENGLRUUWSWMF-UHFFFAOYSA-N
XLogP3.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
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-methylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride (CID 3047015) is 3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride is CNCCCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl.
What is the InChIKey of 3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride?
The InChIKey is ODENGLRUUWSWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c1-20-13-8-14-23-19-18(16-9-4-2-5-10-16)15-22(21-19)17-11-6-3-7-12-17;/h2-7,9-12,15,20H,8,13-14H2,1H3;1H.
What are the key properties of 3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride?
3-(1,4-diphenylpyrazol-3-yl)oxy-N-methylpropan-1-amine;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 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-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 3047015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).