5-nonyl-1H-pyrazole

C12H22N2 — CID 24844218

IUPAC5-nonyl-1H-pyrazole
SMILESCCCCCCCCCc1ccn[nH]1
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyDAVDEZKGACPNHN-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.70
Rot. Bonds8

About 5-nonyl-1H-pyrazole

5-nonyl-1H-pyrazole (PubChem CID 24844218) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-nonyl-1H-pyrazole.

Molecular Properties

Compound Name5-nonyl-1H-pyrazole
PubChem CID24844218
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-nonyl-1H-pyrazole
SMILESCCCCCCCCCc1ccn[nH]1
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyDAVDEZKGACPNHN-UHFFFAOYSA-N
XLogP3.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-nonyl-1H-pyrazole?
The IUPAC name of 5-nonyl-1H-pyrazole (CID 24844218) is 5-nonyl-1H-pyrazole.
What is the SMILES notation for 5-nonyl-1H-pyrazole?
The canonical SMILES for 5-nonyl-1H-pyrazole is CCCCCCCCCc1ccn[nH]1.
What is the InChIKey of 5-nonyl-1H-pyrazole?
The InChIKey is DAVDEZKGACPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of 5-nonyl-1H-pyrazole?
5-nonyl-1H-pyrazole has a molecular weight of 194.32 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-1H-pyrazole is sourced from PubChem (CID 24844218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).