1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea

C15H24N4O — CID 74232495

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCC(C)=CCC/C(C)=C/CNC(=O)Nc1ccnn1C
InChIInChI=1S/C15H24N4O/c1-12(2)6-5-7-13(3)8-10-16-15(20)18-14-9-11-17-19(14)4/h6,8-9,11H,5,7,10H2,1-4H3,(H2,16,18,20)/b13-8+
InChIKeyGMXZZMQNVTYBKE-MDWZMJQESA-N
MW276.38 g/mol
LogP3.23
Rot. Bonds6

About 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea

1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea (PubChem CID 74232495) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea
PubChem CID74232495
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCC(C)=CCC/C(C)=C/CNC(=O)Nc1ccnn1C
InChIInChI=1S/C15H24N4O/c1-12(2)6-5-7-13(3)8-10-16-15(20)18-14-9-11-17-19(14)4/h6,8-9,11H,5,7,10H2,1-4H3,(H2,16,18,20)/b13-8+
InChIKeyGMXZZMQNVTYBKE-MDWZMJQESA-N
XLogP3.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea (CID 74232495) is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea is CC(C)=CCC/C(C)=C/CNC(=O)Nc1ccnn1C.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is GMXZZMQNVTYBKE-MDWZMJQESA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)6-5-7-13(3)8-10-16-15(20)18-14-9-11-17-19(14)4/h6,8-9,11H,5,7,10H2,1-4H3,(H2,16,18,20)/b13-8+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea?
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 74232495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).