1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole

C15H24N2 — CID 123614453

IUPAC1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole
SMILESCCCCC(=CC=C(C)C)c1cn(C)nc1C
InChIInChI=1S/C15H24N2/c1-6-7-8-14(10-9-12(2)3)15-11-17(5)16-13(15)4/h9-11H,6-8H2,1-5H3
InChIKeyACDJUYOTIWOSBB-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.27
Rot. Bonds5

About 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole

1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole (PubChem CID 123614453) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole
PubChem CID123614453
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole
SMILESCCCCC(=CC=C(C)C)c1cn(C)nc1C
InChIInChI=1S/C15H24N2/c1-6-7-8-14(10-9-12(2)3)15-11-17(5)16-13(15)4/h9-11H,6-8H2,1-5H3
InChIKeyACDJUYOTIWOSBB-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole?
The IUPAC name of 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole (CID 123614453) is 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole?
The canonical SMILES for 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole is CCCCC(=CC=C(C)C)c1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole?
The InChIKey is ACDJUYOTIWOSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-7-8-14(10-9-12(2)3)15-11-17(5)16-13(15)4/h9-11H,6-8H2,1-5H3.
What are the key properties of 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole?
1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole has a molecular weight of 232.37 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(2-methylnona-2,4-dien-5-yl)pyrazole is sourced from PubChem (CID 123614453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).