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

C18H23ClN4O — CID 73305918

IUPAC2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)CC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c19-17-5-3-15(4-6-17)18-16(11-21-22-18)13-23(8-9-24)12-14-2-1-7-20-10-14/h1-7,10,16,18,21-22,24H,8-9,11-13H2
InChIKeyHBPKXXQEGDUBJR-UHFFFAOYSA-N
MW346.86 g/mol
LogP1.99
Rot. Bonds7

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

2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol (PubChem CID 73305918) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
PubChem CID73305918
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1cccnc1)CC1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN4O/c19-17-5-3-15(4-6-17)18-16(11-21-22-18)13-23(8-9-24)12-14-2-1-7-20-10-14/h1-7,10,16,18,21-22,24H,8-9,11-13H2
InChIKeyHBPKXXQEGDUBJR-UHFFFAOYSA-N
XLogP1.99
TPSA60.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 78214916
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
1-[3-(4-chlorophenyl)pyrazolidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 78305057
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
N-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N-(pyridin-2-ylmethyl)cyclopropanamine
CID 134127818
5-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 46953737
ethyl 4-[[pyridin-3-ylmethyl(thiophen-3-ylmethyl)amino]methyl]pyrazolidine-3-carboxylate
CID 75258095
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 11623587

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol (CID 73305918) is 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol is OCCN(Cc1cccnc1)CC1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol?
The InChIKey is HBPKXXQEGDUBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c19-17-5-3-15(4-6-17)18-16(11-21-22-18)13-23(8-9-24)12-14-2-1-7-20-10-14/h1-7,10,16,18,21-22,24H,8-9,11-13H2.
What are the key properties of 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol?
2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol has a molecular weight of 346.86 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 73305918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).