2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride

C19H22ClN3O — CID 3046901

IUPAC2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-21(2)13-14-23-19-18(16-9-5-3-6-10-16)15-22(20-19)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H
InChIKeyPMYTUBGXGMTBAV-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.90
Rot. Bonds6

About 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride

2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride (PubChem CID 3046901) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride
PubChem CID3046901
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-21(2)13-14-23-19-18(16-9-5-3-6-10-16)15-22(20-19)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H
InChIKeyPMYTUBGXGMTBAV-UHFFFAOYSA-N
XLogP3.90
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
4-[2-(1-Naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 71460636
{3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methanol
CID 752100
N-methyl-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}tetrahydro-3-furanamine
CID 16190189
N-(2-methoxyethyl)-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-propanamine
CID 23724051
3-ethyl-4-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}morpholine
CID 70774445
3-(1-benzyl-3-phenylpyrazol-5-yl)oxy-N,N-dimethylpropan-1-amine
CID 10568821
4-(2-Methoxyphenyl)-1-phenylpyrazole
CID 21188006
1H-Indazole, 3-(2-(dimethylamino)ethoxy)-1-phenethyl-, monohydrochloride
CID 200259
1H-Indazole, 3-(2-(dimethylamino)ethoxy)-1-phenyl-, monohydrochloride
CID 200265
Ethanamine, N,N-diethyl-2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-, monomethanesulfonate
CID 3046903

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride (CID 3046901) is 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride is CN(C)CCOc1nn(-c2ccccc2)cc1-c1ccccc1.Cl.
What is the InChIKey of 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride?
The InChIKey is PMYTUBGXGMTBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c1-21(2)13-14-23-19-18(16-9-5-3-6-10-16)15-22(20-19)17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H.
What are the key properties of 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride?
2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diphenylpyrazol-3-yl)oxy-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3046901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).