3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol

C13H25N3O — CID 113244969

IUPAC3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cnn(CC)c1
InChIInChI=1S/C13H25N3O/c1-3-5-12(6-7-17)8-14-9-13-10-15-16(4-2)11-13/h10-12,14,17H,3-9H2,1-2H3
InChIKeyUGEZLIGDGIBZPK-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds9

About 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol

3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol (PubChem CID 113244969) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
PubChem CID113244969
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cnn(CC)c1
InChIInChI=1S/C13H25N3O/c1-3-5-12(6-7-17)8-14-9-13-10-15-16(4-2)11-13/h10-12,14,17H,3-9H2,1-2H3
InChIKeyUGEZLIGDGIBZPK-UHFFFAOYSA-N
XLogP1.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 103707888
3-[(1-ethylpyrazol-4-yl)methylamino]butan-1-ol
CID 78998031
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pentan-1-ol
CID 103748663
3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731572
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115655686
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
4-[[2-(2-hydroxyethyl)pentylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103527429

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol (CID 113244969) is 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1cnn(CC)c1.
What is the InChIKey of 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol?
The InChIKey is UGEZLIGDGIBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-5-12(6-7-17)8-14-9-13-10-15-16(4-2)11-13/h10-12,14,17H,3-9H2,1-2H3.
What are the key properties of 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol?
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 113244969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).