2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol

C13H25N3O — CID 111449388

IUPAC2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
SMILESCC(C)CCC(C)(O)CNCc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-11(2)5-6-13(3,17)10-14-7-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyDNWHMXRYZQXLIO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.70
Rot. Bonds7

About 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol

2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol (PubChem CID 111449388) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
PubChem CID111449388
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
SMILESCC(C)CCC(C)(O)CNCc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-11(2)5-6-13(3,17)10-14-7-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyDNWHMXRYZQXLIO-UHFFFAOYSA-N
XLogP1.70
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methylpropylamino)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103017836
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 81411652
2-(3-methylbutoxy)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61483675
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79551486
2,5-dimethyl-1-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449405
2,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449402
4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 106255495
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol?
The IUPAC name of 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol (CID 111449388) is 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol.
What is the SMILES notation for 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol?
The canonical SMILES for 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol is CC(C)CCC(C)(O)CNCc1cnn(C)c1.
What is the InChIKey of 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol?
The InChIKey is DNWHMXRYZQXLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)5-6-13(3,17)10-14-7-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol?
2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol is sourced from PubChem (CID 111449388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).