2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol

C23H27N3O — CID 74809930

IUPAC2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1CNNC1c1cccc2ccccc12
InChIInChI=1S/C23H27N3O/c27-14-13-26(16-18-7-2-1-3-8-18)17-20-15-24-25-23(20)22-12-6-10-19-9-4-5-11-21(19)22/h1-12,20,23-25,27H,13-17H2
InChIKeyIBPQQWIIDZKRJI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.10
Rot. Bonds7

About 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol

2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol (PubChem CID 74809930) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol
PubChem CID74809930
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)CC1CNNC1c1cccc2ccccc12
InChIInChI=1S/C23H27N3O/c27-14-13-26(16-18-7-2-1-3-8-18)17-20-15-24-25-23(20)22-12-6-10-19-9-4-5-11-21(19)22/h1-12,20,23-25,27H,13-17H2
InChIKeyIBPQQWIIDZKRJI-UHFFFAOYSA-N
XLogP3.10
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 78214916
2-[benzyl-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 74441611
N,N'-dimethyl-N'-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]ethane-1,2-diamine
CID 126647400
2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
CID 73305918
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
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-methyl-1-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]-4-phenylpiperazine
CID 75099145
(2R,3S)-2-naphthalen-1-ylazetidin-3-ol
CID 124638979
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol (CID 74809930) is 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol is OCCN(Cc1ccccc1)CC1CNNC1c1cccc2ccccc12.
What is the InChIKey of 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol?
The InChIKey is IBPQQWIIDZKRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-14-13-26(16-18-7-2-1-3-8-18)17-20-15-24-25-23(20)22-12-6-10-19-9-4-5-11-21(19)22/h1-12,20,23-25,27H,13-17H2.
What are the key properties of 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol?
2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol has a molecular weight of 361.49 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(3-naphthalen-1-ylpyrazolidin-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 74809930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).