1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine

C18H28N4 — CID 143395209

IUPAC1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine
SMILESC=C(NNCCCCC)C1=NN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H28N4/c1-5-6-7-11-19-20-16(4)17-10-12-22(21-17)18-9-8-14(2)13-15(18)3/h8-9,13,19-20H,4-7,10-12H2,1-3H3
InChIKeyJHTZBWSMLBZFAW-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.67
Rot. Bonds8

About 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine

1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine (PubChem CID 143395209) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine.

Molecular Properties

Compound Name1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine
PubChem CID143395209
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine
SMILESC=C(NNCCCCC)C1=NN(c2ccc(C)cc2C)CC1
InChIInChI=1S/C18H28N4/c1-5-6-7-11-19-20-16(4)17-10-12-22(21-17)18-9-8-14(2)13-15(18)3/h8-9,13,19-20H,4-7,10-12H2,1-3H3
InChIKeyJHTZBWSMLBZFAW-UHFFFAOYSA-N
XLogP3.67
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine?
The IUPAC name of 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine (CID 143395209) is 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine.
What is the SMILES notation for 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine?
The canonical SMILES for 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine is C=C(NNCCCCC)C1=NN(c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine?
The InChIKey is JHTZBWSMLBZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-5-6-7-11-19-20-16(4)17-10-12-22(21-17)18-9-8-14(2)13-15(18)3/h8-9,13,19-20H,4-7,10-12H2,1-3H3.
What are the key properties of 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine?
1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine has a molecular weight of 300.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine is sourced from PubChem (CID 143395209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).