5-cycloundecyl-4-methyl-1H-pyrazole

C15H26N2 — CID 173176811

IUPAC5-cycloundecyl-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1C1CCCCCCCCCC1
InChIInChI=1S/C15H26N2/c1-13-12-16-17-15(13)14-10-8-6-4-2-3-5-7-9-11-14/h12,14H,2-11H2,1H3,(H,16,17)
InChIKeyKJYSVGQOBCFENX-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.72
Rot. Bonds1

About 5-cycloundecyl-4-methyl-1H-pyrazole

5-cycloundecyl-4-methyl-1H-pyrazole (PubChem CID 173176811) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 5-cycloundecyl-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-cycloundecyl-4-methyl-1H-pyrazole
PubChem CID173176811
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name5-cycloundecyl-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1C1CCCCCCCCCC1
InChIInChI=1S/C15H26N2/c1-13-12-16-17-15(13)14-10-8-6-4-2-3-5-7-9-11-14/h12,14H,2-11H2,1H3,(H,16,17)
InChIKeyKJYSVGQOBCFENX-UHFFFAOYSA-N
XLogP4.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cycloundecyl-4-methyl-1H-pyrazole?
The IUPAC name of 5-cycloundecyl-4-methyl-1H-pyrazole (CID 173176811) is 5-cycloundecyl-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-cycloundecyl-4-methyl-1H-pyrazole?
The canonical SMILES for 5-cycloundecyl-4-methyl-1H-pyrazole is Cc1cn[nH]c1C1CCCCCCCCCC1.
What is the InChIKey of 5-cycloundecyl-4-methyl-1H-pyrazole?
The InChIKey is KJYSVGQOBCFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13-12-16-17-15(13)14-10-8-6-4-2-3-5-7-9-11-14/h12,14H,2-11H2,1H3,(H,16,17).
What are the key properties of 5-cycloundecyl-4-methyl-1H-pyrazole?
5-cycloundecyl-4-methyl-1H-pyrazole has a molecular weight of 234.39 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloundecyl-4-methyl-1H-pyrazole is sourced from PubChem (CID 173176811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).