2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol

C19H20ClN3O — CID 11405111

IUPAC2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
SMILESOCCNCC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H20ClN3O/c20-18-7-5-16(6-8-18)19(13-21-9-10-24)15-3-1-14(2-4-15)17-11-22-23-12-17/h1-8,11-12,19,21,24H,9-10,13H2,(H,22,23)
InChIKeyHBYQXDUYJRDECS-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.44
Rot. Bonds7

About 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol

2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol (PubChem CID 11405111) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
PubChem CID11405111
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
SMILESOCCNCC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C19H20ClN3O/c20-18-7-5-16(6-8-18)19(13-21-9-10-24)15-3-1-14(2-4-15)17-11-22-23-12-17/h1-8,11-12,19,21,24H,9-10,13H2,(H,22,23)
InChIKeyHBYQXDUYJRDECS-UHFFFAOYSA-N
XLogP3.44
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714
4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol
CID 174505000
3-(4-chlorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 71143204
O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
CID 145474090
3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 59446651
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
CID 118191758
4-[4-[2-(azetidin-1-yl)-1-(4-chlorophenyl)ethyl]phenyl]-1H-pyrazole;2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetaldehyde
CID 157337697
2-[2-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methoxy]ethylcarbamoyl]benzoic acid
CID 59331989
3-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 11990842
1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 151696156

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol?
The IUPAC name of 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol (CID 11405111) is 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol is OCCNCC(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol?
The InChIKey is HBYQXDUYJRDECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-18-7-5-16(6-8-18)19(13-21-9-10-24)15-3-1-14(2-4-15)17-11-22-23-12-17/h1-8,11-12,19,21,24H,9-10,13H2,(H,22,23).
What are the key properties of 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol?
2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol has a molecular weight of 341.84 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol is sourced from PubChem (CID 11405111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).