4-(5-methylundecan-5-yl)-1H-pyrazole

C15H28N2 — CID 139543634

IUPAC4-(5-methylundecan-5-yl)-1H-pyrazole
SMILESCCCCCCC(C)(CCCC)c1cn[nH]c1
InChIInChI=1S/C15H28N2/c1-4-6-8-9-11-15(3,10-7-5-2)14-12-16-17-13-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyWMCFSKJXAYXWDJ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.83
Rot. Bonds9

About 4-(5-methylundecan-5-yl)-1H-pyrazole

4-(5-methylundecan-5-yl)-1H-pyrazole (PubChem CID 139543634) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-(5-methylundecan-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(5-methylundecan-5-yl)-1H-pyrazole
PubChem CID139543634
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4-(5-methylundecan-5-yl)-1H-pyrazole
SMILESCCCCCCC(C)(CCCC)c1cn[nH]c1
InChIInChI=1S/C15H28N2/c1-4-6-8-9-11-15(3,10-7-5-2)14-12-16-17-13-14/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyWMCFSKJXAYXWDJ-UHFFFAOYSA-N
XLogP4.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.83
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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Related Compounds

4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253
4-(3-methyl-1-methylsulfanylheptan-3-yl)-1H-pyrazole
CID 123629370
4-(2-methylhexan-2-yl)-1H-pyrazole
CID 130280385
4-(5-methylundecan-5-yl)pyridine
CID 146178387
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
4-(7-methyltridecan-7-yl)pyridazine
CID 146508245
4-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377921
4-tridecoxy-1H-pyrazole
CID 21398091
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-methyl-5-(4-methyloctan-4-yl)pyrimidine
CID 130337188
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole
CID 129028311

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylundecan-5-yl)-1H-pyrazole?
The IUPAC name of 4-(5-methylundecan-5-yl)-1H-pyrazole (CID 139543634) is 4-(5-methylundecan-5-yl)-1H-pyrazole.
What is the SMILES notation for 4-(5-methylundecan-5-yl)-1H-pyrazole?
The canonical SMILES for 4-(5-methylundecan-5-yl)-1H-pyrazole is CCCCCCC(C)(CCCC)c1cn[nH]c1.
What is the InChIKey of 4-(5-methylundecan-5-yl)-1H-pyrazole?
The InChIKey is WMCFSKJXAYXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-6-8-9-11-15(3,10-7-5-2)14-12-16-17-13-14/h12-13H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 4-(5-methylundecan-5-yl)-1H-pyrazole?
4-(5-methylundecan-5-yl)-1H-pyrazole has a molecular weight of 236.40 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylundecan-5-yl)-1H-pyrazole is sourced from PubChem (CID 139543634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).