2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol

C20H27FN4O — CID 75259366

IUPAC2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1ccncc1)CC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C20H27FN4O/c1-2-19(14-26)25(12-15-7-9-22-10-8-15)13-17-11-23-24-20(17)16-3-5-18(21)6-4-16/h3-10,17,19-20,23-24,26H,2,11-14H2,1H3
InChIKeyYXWWYJCPEPNRIQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.26
Rot. Bonds8

About 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol

2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol (PubChem CID 75259366) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol
PubChem CID75259366
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol
SMILESCCC(CO)N(Cc1ccncc1)CC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C20H27FN4O/c1-2-19(14-26)25(12-15-7-9-22-10-8-15)13-17-11-23-24-20(17)16-3-5-18(21)6-4-16/h3-10,17,19-20,23-24,26H,2,11-14H2,1H3
InChIKeyYXWWYJCPEPNRIQ-UHFFFAOYSA-N
XLogP2.26
TPSA60.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
CID 75258392
2-[benzyl-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 78214916
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methyl-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134127176
1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 134127855
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl-(pyridin-3-ylmethyl)amino]ethanol
CID 73305918
N-[(4-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)-1-(3-thiophen-2-ylpyrazolidin-4-yl)methanamine
CID 75261221
N-[[3-(4-phenylphenyl)pyrazolidin-4-yl]methyl]-2-pyridin-4-ylethanamine
CID 74414644
N'-benzyl-N'-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-N,N-dimethylethane-1,2-diamine
CID 74552940
2-[2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methylamino]ethoxy]ethanol
CID 52975595
N-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-2-propoxyethanamine
CID 75257296

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol (CID 75259366) is 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol is CCC(CO)N(Cc1ccncc1)CC1CNNC1c1ccc(F)cc1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol?
The InChIKey is YXWWYJCPEPNRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-2-19(14-26)25(12-15-7-9-22-10-8-15)13-17-11-23-24-20(17)16-3-5-18(21)6-4-16/h3-10,17,19-20,23-24,26H,2,11-14H2,1H3.
What are the key properties of 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol?
2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol has a molecular weight of 358.46 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl-(pyridin-4-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 75259366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).