1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol

C18H26N4O — CID 75471481

IUPAC1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESCC(NCC1CC(O)CN1Cc1ccccc1)c1cnn(C)c1
InChIInChI=1S/C18H26N4O/c1-14(16-9-20-21(2)12-16)19-10-17-8-18(23)13-22(17)11-15-6-4-3-5-7-15/h3-7,9,12,14,17-19,23H,8,10-11,13H2,1-2H3
InChIKeySIJGEECOZVJRGQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.71
Rot. Bonds6

About 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol

1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol (PubChem CID 75471481) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
PubChem CID75471481
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESCC(NCC1CC(O)CN1Cc1ccccc1)c1cnn(C)c1
InChIInChI=1S/C18H26N4O/c1-14(16-9-20-21(2)12-16)19-10-17-8-18(23)13-22(17)11-15-6-4-3-5-7-15/h3-7,9,12,14,17-19,23H,8,10-11,13H2,1-2H3
InChIKeySIJGEECOZVJRGQ-UHFFFAOYSA-N
XLogP1.71
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{1-(4-methylbenzyl)-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16188653
2-{1-benzyl-4-[3-(1H-pyrazol-1-yl)propyl]-2-piperazinyl}ethanol
CID 16191842
2-[4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16188292
2-[4-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)-2-piperazinyl]ethanol
CID 16191174
2-[4-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16191358
(2S,3S,4R)-2-[(4-phenyltriazol-1-yl)methyl]pyrrolidine-3,4-diol
CID 145967390
(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 84595210
(3S,7R,8aS)-3-benzyl-2-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92595563
(3R,7R,8aS)-3-benzyl-2-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92595565
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97384238
(2S,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470069
(2S,3S)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470406

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol (CID 75471481) is 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol is CC(NCC1CC(O)CN1Cc1ccccc1)c1cnn(C)c1.
What is the InChIKey of 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The InChIKey is SIJGEECOZVJRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(16-9-20-21(2)12-16)19-10-17-8-18(23)13-22(17)11-15-6-4-3-5-7-15/h3-7,9,12,14,17-19,23H,8,10-11,13H2,1-2H3.
What are the key properties of 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol has a molecular weight of 314.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 75471481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).