6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol

C10H19N3O — CID 107703485

IUPAC6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
SMILESCn1cc(NCCCCCCO)cn1
InChIInChI=1S/C10H19N3O/c1-13-9-10(8-12-13)11-6-4-2-3-5-7-14/h8-9,11,14H,2-7H2,1H3
InChIKeyHZZOPEYZLYOVCM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.38
Rot. Bonds7

About 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol

6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol (PubChem CID 107703485) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
PubChem CID107703485
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol
SMILESCn1cc(NCCCCCCO)cn1
InChIInChI=1S/C10H19N3O/c1-13-9-10(8-12-13)11-6-4-2-3-5-7-14/h8-9,11,14H,2-7H2,1H3
InChIKeyHZZOPEYZLYOVCM-UHFFFAOYSA-N
XLogP1.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.38
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-[(1-methylpyrazol-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol (CID 107703485) is 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol is Cn1cc(NCCCCCCO)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol?
The InChIKey is HZZOPEYZLYOVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-13-9-10(8-12-13)11-6-4-2-3-5-7-14/h8-9,11,14H,2-7H2,1H3.
What are the key properties of 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol?
6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 107703485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).