2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol

C13H24N4O — CID 64831318

IUPAC2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCCN1CCCC1CNCc1cnn(CCO)c1
InChIInChI=1S/C13H24N4O/c1-2-16-5-3-4-13(16)10-14-8-12-9-15-17(11-12)6-7-18/h9,11,13-14,18H,2-8,10H2,1H3
InChIKeyKZZICRYAJRCHTC-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.45
Rot. Bonds7

About 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64831318) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64831318
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESCCN1CCCC1CNCc1cnn(CCO)c1
InChIInChI=1S/C13H24N4O/c1-2-16-5-3-4-13(16)10-14-8-12-9-15-17(11-12)6-7-18/h9,11,13-14,18H,2-8,10H2,1H3
InChIKeyKZZICRYAJRCHTC-UHFFFAOYSA-N
XLogP0.45
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
2-[4-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830908
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 102536699
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(1-ethylpyrrolidin-2-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66408267
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 43088242
6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyridin-3-ol
CID 79776024
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol (CID 64831318) is 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol is CCN1CCCC1CNCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is KZZICRYAJRCHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-16-5-3-4-13(16)10-14-8-12-9-15-17(11-12)6-7-18/h9,11,13-14,18H,2-8,10H2,1H3.
What are the key properties of 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64831318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).