2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide

C15H20Cl2N4O — CID 143395196

IUPAC2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide
SMILESCCCCCNNC(=O)C1=NN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N4O/c1-2-3-4-8-18-19-15(22)13-7-9-21(20-13)14-6-5-11(16)10-12(14)17/h5-6,10,18H,2-4,7-9H2,1H3,(H,19,22)
InChIKeyUMMRVPRRSQPFPI-UHFFFAOYSA-N
MW343.26 g/mol
LogP3.37
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide

2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide (PubChem CID 143395196) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide
PubChem CID143395196
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC Name2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide
SMILESCCCCCNNC(=O)C1=NN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N4O/c1-2-3-4-8-18-19-15(22)13-7-9-21(20-13)14-6-5-11(16)10-12(14)17/h5-6,10,18H,2-4,7-9H2,1H3,(H,19,22)
InChIKeyUMMRVPRRSQPFPI-UHFFFAOYSA-N
XLogP3.37
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 53.37
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-chloro-4-methylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine;toluene
CID 143395173
chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane
CID 143395360
2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 143932609
N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 143395212
1-[1-[2-(2,4-dimethylphenyl)-3,4-dihydropyrazol-5-yl]ethenyl]-2-pentylhydrazine
CID 143395209
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methylpyrazole-3-carboxamide
CID 44588401
2,4-dichloro-N-nonylbenzamide
CID 3596264
[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carbonyl]amino]-ethyl-pentylazanium
CID 143395109
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-ethyl-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide
CID 143395110
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]heptanamide
CID 25056051
2-(2,4-dichlorophenyl)-3-methyl-3,4-dihydropyrazole-5-carboxylic acid
CID 143723671

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide (CID 143395196) is 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide is CCCCCNNC(=O)C1=NN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide?
The InChIKey is UMMRVPRRSQPFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O/c1-2-3-4-8-18-19-15(22)13-7-9-21(20-13)14-6-5-11(16)10-12(14)17/h5-6,10,18H,2-4,7-9H2,1H3,(H,19,22).
What are the key properties of 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide?
2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide has a molecular weight of 343.26 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide is sourced from PubChem (CID 143395196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).