1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol

C12H21N3O — CID 107008588

IUPAC1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cnn(C)c1N
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-8-11(16)10-9-14-15(2)12(10)13/h3,9,11,16H,1,4-8,13H2,2H3
InChIKeyWDISZDGOHVAQGV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.17
Rot. Bonds7

About 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol

1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol (PubChem CID 107008588) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol
PubChem CID107008588
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cnn(C)c1N
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-8-11(16)10-9-14-15(2)12(10)13/h3,9,11,16H,1,4-8,13H2,2H3
InChIKeyWDISZDGOHVAQGV-UHFFFAOYSA-N
XLogP2.17
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol (CID 107008588) is 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol is C=CCCCCCC(O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol?
The InChIKey is WDISZDGOHVAQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-5-6-7-8-11(16)10-9-14-15(2)12(10)13/h3,9,11,16H,1,4-8,13H2,2H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol?
1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)oct-7-en-1-ol is sourced from PubChem (CID 107008588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).