2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine

C18H19N3O — CID 3046994

IUPAC2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
SMILESCNCCOc1nn(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H19N3O/c1-19-12-13-22-18-17(15-8-4-2-5-9-15)14-21(20-18)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3
InChIKeyLWDIDMFITQWKKN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.14
Rot. Bonds6

About 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine

2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine (PubChem CID 3046994) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine.

Molecular Properties

Compound Name2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
PubChem CID3046994
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
SMILESCNCCOc1nn(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C18H19N3O/c1-19-12-13-22-18-17(15-8-4-2-5-9-15)14-21(20-18)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3
InChIKeyLWDIDMFITQWKKN-UHFFFAOYSA-N
XLogP3.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.14
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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Related Compounds

methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
CID 154148416
2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
CID 3046960
4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
CID 3047072
3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
CID 3046975
1,3,4-triphenylpyrazole
CID 555882
3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 3046986
N-methyl-3-(2-phenylphenoxy)propan-1-amine;oxalic acid
CID 2949209
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
CID 3079490
N-methyl-3-phenoxypropan-1-amine
CID 22067856
1,4-diphenyl-3-prop-1-enylpyrazole;ethane
CID 54498464
4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43310291
2-(1,4-diphenylpyrazol-3-yl)acetamide
CID 21418445

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine?
The IUPAC name of 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine (CID 3046994) is 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine.
What is the SMILES notation for 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine?
The canonical SMILES for 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine is CNCCOc1nn(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine?
The InChIKey is LWDIDMFITQWKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-19-12-13-22-18-17(15-8-4-2-5-9-15)14-21(20-18)16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3.
What are the key properties of 2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine?
2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine has a molecular weight of 293.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 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-methylethanamine is sourced from PubChem (CID 3046994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).