3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole

C15H24N2 — CID 71815920

IUPAC3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole
SMILESCC(C)=CCC/C(C)=C/CCc1cc(C)[nH]n1
InChIInChI=1S/C15H24N2/c1-12(2)7-5-8-13(3)9-6-10-15-11-14(4)16-17-15/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)/b13-9+
InChIKeyQNQRXTUHNMJPLG-UKTHLTGXSA-N
MW232.37 g/mol
LogP4.34
Rot. Bonds6

About 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole

3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole (PubChem CID 71815920) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole
PubChem CID71815920
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole
SMILESCC(C)=CCC/C(C)=C/CCc1cc(C)[nH]n1
InChIInChI=1S/C15H24N2/c1-12(2)7-5-8-13(3)9-6-10-15-11-14(4)16-17-15/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)/b13-9+
InChIKeyQNQRXTUHNMJPLG-UKTHLTGXSA-N
XLogP4.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole?
The IUPAC name of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole (CID 71815920) is 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole?
The canonical SMILES for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole is CC(C)=CCC/C(C)=C/CCc1cc(C)[nH]n1.
What is the InChIKey of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole?
The InChIKey is QNQRXTUHNMJPLG-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)7-5-8-13(3)9-6-10-15-11-14(4)16-17-15/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)/b13-9+.
What are the key properties of 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole?
3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole has a molecular weight of 232.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 71815920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).