3,5-didecyl-1H-pyrazole

C23H44N2 — CID 139785529

IUPAC3,5-didecyl-1H-pyrazole
SMILESCCCCCCCCCCc1cc(CCCCCCCCCC)[nH]n1
InChIInChI=1S/C23H44N2/c1-3-5-7-9-11-13-15-17-19-22-21-23(25-24-22)20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,24,25)
InChIKeyUIZGRVODUGTFLJ-UHFFFAOYSA-N
MW348.62 g/mol
LogP7.78
Rot. Bonds18

About 3,5-didecyl-1H-pyrazole

3,5-didecyl-1H-pyrazole (PubChem CID 139785529) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 3,5-didecyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-didecyl-1H-pyrazole
PubChem CID139785529
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name3,5-didecyl-1H-pyrazole
SMILESCCCCCCCCCCc1cc(CCCCCCCCCC)[nH]n1
InChIInChI=1S/C23H44N2/c1-3-5-7-9-11-13-15-17-19-22-21-23(25-24-22)20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,24,25)
InChIKeyUIZGRVODUGTFLJ-UHFFFAOYSA-N
XLogP7.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.78
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-(5-heptyl-1H-pyrazol-3-yl)phenyl]methanamine
CID 58507099
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
2,6-diheptyl-4-propylpyridine
CID 91426264
4,6-dihexadecylpyrimidine
CID 91309058
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522
1-[(3-butyl-1H-pyrazol-5-yl)methyl]piperidine
CID 13211763
5-(chloromethyl)-3-propyl-1H-pyrazole
CID 103027301
ethyl 5-pentadecyl-1H-pyrazole-3-carboxylate
CID 70581029
4,6-didodecyl-2-methylpyrimidine
CID 66935955
4-methyl-2,6-dioctylpyridine
CID 66935754
2-methyl-4,6-dioctylpyrimidine
CID 66935791

Frequently Asked Questions

What is the IUPAC name of 3,5-didecyl-1H-pyrazole?
The IUPAC name of 3,5-didecyl-1H-pyrazole (CID 139785529) is 3,5-didecyl-1H-pyrazole.
What is the SMILES notation for 3,5-didecyl-1H-pyrazole?
The canonical SMILES for 3,5-didecyl-1H-pyrazole is CCCCCCCCCCc1cc(CCCCCCCCCC)[nH]n1.
What is the InChIKey of 3,5-didecyl-1H-pyrazole?
The InChIKey is UIZGRVODUGTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-3-5-7-9-11-13-15-17-19-22-21-23(25-24-22)20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H,24,25).
What are the key properties of 3,5-didecyl-1H-pyrazole?
3,5-didecyl-1H-pyrazole has a molecular weight of 348.62 g/mol, XLogP of 7.78, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-didecyl-1H-pyrazole is sourced from PubChem (CID 139785529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).