3-pyrazol-1-ylnonan-2-ol

C12H22N2O — CID 10420657

IUPAC3-pyrazol-1-ylnonan-2-ol
SMILESCCCCCCC(C(C)O)n1cccn1
InChIInChI=1S/C12H22N2O/c1-3-4-5-6-8-12(11(2)15)14-10-7-9-13-14/h7,9-12,15H,3-6,8H2,1-2H3
InChIKeyIJCXQZWAZPGFQK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.78
Rot. Bonds7

About 3-pyrazol-1-ylnonan-2-ol

3-pyrazol-1-ylnonan-2-ol (PubChem CID 10420657) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-pyrazol-1-ylnonan-2-ol.

Molecular Properties

Compound Name3-pyrazol-1-ylnonan-2-ol
PubChem CID10420657
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-pyrazol-1-ylnonan-2-ol
SMILESCCCCCCC(C(C)O)n1cccn1
InChIInChI=1S/C12H22N2O/c1-3-4-5-6-8-12(11(2)15)14-10-7-9-13-14/h7,9-12,15H,3-6,8H2,1-2H3
InChIKeyIJCXQZWAZPGFQK-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-pyrazol-1-ylnonan-2-ol?
The IUPAC name of 3-pyrazol-1-ylnonan-2-ol (CID 10420657) is 3-pyrazol-1-ylnonan-2-ol.
What is the SMILES notation for 3-pyrazol-1-ylnonan-2-ol?
The canonical SMILES for 3-pyrazol-1-ylnonan-2-ol is CCCCCCC(C(C)O)n1cccn1.
What is the InChIKey of 3-pyrazol-1-ylnonan-2-ol?
The InChIKey is IJCXQZWAZPGFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-6-8-12(11(2)15)14-10-7-9-13-14/h7,9-12,15H,3-6,8H2,1-2H3.
What are the key properties of 3-pyrazol-1-ylnonan-2-ol?
3-pyrazol-1-ylnonan-2-ol has a molecular weight of 210.32 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylnonan-2-ol is sourced from PubChem (CID 10420657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).