1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene

C24H33ClN4 — CID 143395173

IUPAC1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene
SMILESC=C(NNCCCCC)C1=NN(c2ccc(C)cc2Cl)CC1.Cc1ccccc1
InChIInChI=1S/C17H25ClN4.C7H8/c1-4-5-6-10-19-20-14(3)16-9-11-22(21-16)17-8-7-13(2)12-15(17)18;1-7-5-3-2-4-6-7/h7-8,12,19-20H,3-6,9-11H2,1-2H3;2-6H,1H3
InChIKeyQGCZMOOPZNTWSF-UHFFFAOYSA-N
MW413.01 g/mol
LogP6.01
Rot. Bonds8

About 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene

1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene (PubChem CID 143395173) has the molecular formula C24H33ClN4 and a molecular weight of 413.01 g/mol. Its IUPAC name is 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene.

Molecular Properties

Compound Name1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene
PubChem CID143395173
Molecular FormulaC24H33ClN4
Molecular Weight413.01 g/mol
Exact Mass412.24
IUPAC Name1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene
SMILESC=C(NNCCCCC)C1=NN(c2ccc(C)cc2Cl)CC1.Cc1ccccc1
InChIInChI=1S/C17H25ClN4.C7H8/c1-4-5-6-10-19-20-14(3)16-9-11-22(21-16)17-8-7-13(2)12-15(17)18;1-7-5-3-2-4-6-7/h7-8,12,19-20H,3-6,9-11H2,1-2H3;2-6H,1H3
InChIKeyQGCZMOOPZNTWSF-UHFFFAOYSA-N
XLogP6.01
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.01
LogP ≤ 56.01
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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Related Compounds

1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine
CID 143395209
2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide
CID 143395196
chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane
CID 143395360
1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106560864
2-chloro-N-decyl-4-methylaniline
CID 63489010
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
N-[(2-chloro-4-methylphenyl)methyl]decan-1-amine
CID 106862878
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
decane;sulfane;toluene
CID 157105742
ethane;heptane;toluene
CID 145106448
hexane;propan-2-ol;toluene
CID 70146833

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene?
The IUPAC name of 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene (CID 143395173) is 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene.
What is the SMILES notation for 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene?
The canonical SMILES for 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene is C=C(NNCCCCC)C1=NN(c2ccc(C)cc2Cl)CC1.Cc1ccccc1.
What is the InChIKey of 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene?
The InChIKey is QGCZMOOPZNTWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4.C7H8/c1-4-5-6-10-19-20-14(3)16-9-11-22(21-16)17-8-7-13(2)12-15(17)18;1-7-5-3-2-4-6-7/h7-8,12,19-20H,3-6,9-11H2,1-2H3;2-6H,1H3.
What are the key properties of 1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene?
1-[1-[2-(2-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene has a molecular weight of 413.01 g/mol, XLogP of 6.01, 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-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene is sourced from PubChem (CID 143395173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).