3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol

C12H23N3O — CID 114357711

IUPAC3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)n1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-6-11(13)12(7-16)15-10(4)8(2)9(3)14-15/h11-12,16H,5-7,13H2,1-4H3
InChIKeyFCGHZBYVSBJNET-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.47
Rot. Bonds5

About 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol

3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol (PubChem CID 114357711) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
PubChem CID114357711
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)n1nc(C)c(C)c1C
InChIInChI=1S/C12H23N3O/c1-5-6-11(13)12(7-16)15-10(4)8(2)9(3)14-15/h11-12,16H,5-7,13H2,1-4H3
InChIKeyFCGHZBYVSBJNET-UHFFFAOYSA-N
XLogP1.47
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol (CID 114357711) is 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol is CCCC(N)C(CO)n1nc(C)c(C)c1C.
What is the InChIKey of 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol?
The InChIKey is FCGHZBYVSBJNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-11(13)12(7-16)15-10(4)8(2)9(3)14-15/h11-12,16H,5-7,13H2,1-4H3.
What are the key properties of 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol?
3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,4,5-trimethylpyrazol-1-yl)hexan-1-ol is sourced from PubChem (CID 114357711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).