6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol

C9H16BrN3O — CID 107703736

IUPAC6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol
SMILESNc1nn(CCCCCCO)cc1Br
InChIInChI=1S/C9H16BrN3O/c10-8-7-13(12-9(8)11)5-3-1-2-4-6-14/h7,14H,1-6H2,(H2,11,12)
InChIKeyPLPRNIHSNXZQHI-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.78
Rot. Bonds6

About 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol

6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol (PubChem CID 107703736) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol
PubChem CID107703736
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol
SMILESNc1nn(CCCCCCO)cc1Br
InChIInChI=1S/C9H16BrN3O/c10-8-7-13(12-9(8)11)5-3-1-2-4-6-14/h7,14H,1-6H2,(H2,11,12)
InChIKeyPLPRNIHSNXZQHI-UHFFFAOYSA-N
XLogP1.78
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol?
The IUPAC name of 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol (CID 107703736) is 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol.
What is the SMILES notation for 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol?
The canonical SMILES for 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol is Nc1nn(CCCCCCO)cc1Br.
What is the InChIKey of 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol?
The InChIKey is PLPRNIHSNXZQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3O/c10-8-7-13(12-9(8)11)5-3-1-2-4-6-14/h7,14H,1-6H2,(H2,11,12).
What are the key properties of 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol?
6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol has a molecular weight of 262.15 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol is sourced from PubChem (CID 107703736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).