2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol

C19H24ClN3O — CID 78214916

IUPAC2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c20-18-8-6-16(7-9-18)19-17(12-21-22-19)14-23(10-11-24)13-15-4-2-1-3-5-15/h1-9,17,19,21-22,24H,10-14H2
InChIKeyRQZHNQMILWCBLF-UHFFFAOYSA-N
MW345.87 g/mol
LogP2.60
Rot. Bonds7

About 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol

2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol (PubChem CID 78214916) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
PubChem CID78214916
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O/c20-18-8-6-16(7-9-18)19-17(12-21-22-19)14-23(10-11-24)13-15-4-2-1-3-5-15/h1-9,17,19,21-22,24H,10-14H2
InChIKeyRQZHNQMILWCBLF-UHFFFAOYSA-N
XLogP2.60
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol with MolForge

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Related Compounds

N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
CID 73305918
2-[benzyl-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 74441611
2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol
CID 74809930
1-[1,3-benzodioxol-5-ylmethyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]propan-2-ol
CID 73305897
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 134127818
N-[(4-chlorophenyl)methyl]-N-methyl-3-phenylpyrazolidine-4-carboxamide
CID 134057083
5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one
CID 60706787
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
cis-(1R,2S)-2-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 23584113

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol (CID 78214916) is 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol is OCCN(Cc1ccccc1)CC1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol?
The InChIKey is RQZHNQMILWCBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c20-18-8-6-16(7-9-18)19-17(12-21-22-19)14-23(10-11-24)13-15-4-2-1-3-5-15/h1-9,17,19,21-22,24H,10-14H2.
What are the key properties of 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol?
2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol has a molecular weight of 345.87 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 78214916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).