1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol

C12H22N4O — CID 112624618

IUPAC1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C(CN)c2cnn(C)c2)C1
InChIInChI=1S/C12H22N4O/c1-9(17)10-3-4-16(8-10)12(5-13)11-6-14-15(2)7-11/h6-7,9-10,12,17H,3-5,8,13H2,1-2H3
InChIKeyQSZSPEBJVPYULX-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.12
Rot. Bonds4

About 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol

1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 112624618) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID112624618
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(C(CN)c2cnn(C)c2)C1
InChIInChI=1S/C12H22N4O/c1-9(17)10-3-4-16(8-10)12(5-13)11-6-14-15(2)7-11/h6-7,9-10,12,17H,3-5,8,13H2,1-2H3
InChIKeyQSZSPEBJVPYULX-UHFFFAOYSA-N
XLogP0.12
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]morpholin-2-yl]methanol
CID 81206453
1-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 112624625
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
2-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81096185
2-(4,4-diethylpiperidin-1-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63157076
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603
ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 176573515
2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571938
2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 103569451
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571951
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-phenylpropanethioamide
CID 112625605
2-(4-cyclopropylpiperazin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571785

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol (CID 112624618) is 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(C(CN)c2cnn(C)c2)C1.
What is the InChIKey of 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is QSZSPEBJVPYULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(17)10-3-4-16(8-10)12(5-13)11-6-14-15(2)7-11/h6-7,9-10,12,17H,3-5,8,13H2,1-2H3.
What are the key properties of 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).