4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol

C11H21N3O — CID 79595901

IUPAC4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol
SMILESCCC(N)C(CCO)c1cnn(C)c1C
InChIInChI=1S/C11H21N3O/c1-4-11(12)9(5-6-15)10-7-13-14(3)8(10)2/h7,9,11,15H,4-6,12H2,1-3H3
InChIKeySLWIWZBRDGXHFS-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.93
Rot. Bonds5

About 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol

4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol (PubChem CID 79595901) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol.

Molecular Properties

Compound Name4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol
PubChem CID79595901
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol
SMILESCCC(N)C(CCO)c1cnn(C)c1C
InChIInChI=1S/C11H21N3O/c1-4-11(12)9(5-6-15)10-7-13-14(3)8(10)2/h7,9,11,15H,4-6,12H2,1-3H3
InChIKeySLWIWZBRDGXHFS-UHFFFAOYSA-N
XLogP0.93
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787486
3-[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 74890407
3-[1-(2-Methylprop-2-enyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 75499149
3-[1-Cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 75505874
3-[1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006212
3-[1-(2-Methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006217
3-[1-Pentyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006226
3-[1-Butyl-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006232
2-(3-Ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 112670677
4-(3-Hydroxypropyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 121522015
2-amino-2-methyl-3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
CID 165632041
3-amino-2-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]propan-1-ol
CID 165636497

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol?
The IUPAC name of 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol (CID 79595901) is 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol.
What is the SMILES notation for 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol?
The canonical SMILES for 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol is CCC(N)C(CCO)c1cnn(C)c1C.
What is the InChIKey of 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol?
The InChIKey is SLWIWZBRDGXHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11(12)9(5-6-15)10-7-13-14(3)8(10)2/h7,9,11,15H,4-6,12H2,1-3H3.
What are the key properties of 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol?
4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol is sourced from PubChem (CID 79595901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).