3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol

C12H23N3O — CID 106757861

IUPAC3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccnn1C
InChIInChI=1S/C12H23N3O/c1-5-12(16,6-2)9-13-10(3)11-7-8-14-15(11)4/h7-8,10,13,16H,5-6,9H2,1-4H3
InChIKeyKNDAGFMUIWAFCU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.62
Rot. Bonds6

About 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol

3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 106757861) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
PubChem CID106757861
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccnn1C
InChIInChI=1S/C12H23N3O/c1-5-12(16,6-2)9-13-10(3)11-7-8-14-15(11)4/h7-8,10,13,16H,5-6,9H2,1-4H3
InChIKeyKNDAGFMUIWAFCU-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol
CID 107093949
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
1-[1-(2-methylpyrazol-3-yl)ethylamino]pentan-2-ol
CID 106758117
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 106756920
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol (CID 106757861) is 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1ccnn1C.
What is the InChIKey of 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is KNDAGFMUIWAFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-12(16,6-2)9-13-10(3)11-7-8-14-15(11)4/h7-8,10,13,16H,5-6,9H2,1-4H3.
What are the key properties of 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol?
3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 225.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 106757861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).