2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol

C20H23N3O — CID 71688046

IUPAC2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2CNCCO)cc1
InChIInChI=1S/C20H23N3O/c1-2-16-8-10-17(11-9-16)20-18(14-21-12-13-24)15-23(22-20)19-6-4-3-5-7-19/h3-11,15,21,24H,2,12-14H2,1H3
InChIKeyQSGBPOMRKZGEFF-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.18
Rot. Bonds7

About 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol

2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol (PubChem CID 71688046) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
PubChem CID71688046
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2CNCCO)cc1
InChIInChI=1S/C20H23N3O/c1-2-16-8-10-17(11-9-16)20-18(14-21-12-13-24)15-23(22-20)19-6-4-3-5-7-19/h3-11,15,21,24H,2,12-14H2,1H3
InChIKeyQSGBPOMRKZGEFF-UHFFFAOYSA-N
XLogP3.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
2-[2-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylamino]ethoxy]ethanol
CID 119108720
N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 26331039
1-butyl-3-[(1,3-diphenylpyrazol-4-yl)methyl]thiourea
CID 19325003
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
(1S)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-1-phenylethanol
CID 51923545
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
[1-(4-ethylphenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910884
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol?
The IUPAC name of 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol (CID 71688046) is 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol?
The canonical SMILES for 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol is CCc1ccc(-c2nn(-c3ccccc3)cc2CNCCO)cc1.
What is the InChIKey of 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol?
The InChIKey is QSGBPOMRKZGEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-16-8-10-17(11-9-16)20-18(14-21-12-13-24)15-23(22-20)19-6-4-3-5-7-19/h3-11,15,21,24H,2,12-14H2,1H3.
What are the key properties of 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol?
2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol has a molecular weight of 321.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylamino]ethanol is sourced from PubChem (CID 71688046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).