2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide

C15H18Cl2N4O — CID 2744584

IUPAC2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2c(Cl)cccc2Cl)n(C(C)(C)C)n1
InChIInChI=1S/C15H18Cl2N4O/c1-9-8-12(21(20-9)15(2,3)4)14(22)19-18-13-10(16)6-5-7-11(13)17/h5-8,18H,1-4H3,(H,19,22)
InChIKeyARTFBZDKQJHNGF-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.01
Rot. Bonds3

About 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide

2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide (PubChem CID 2744584) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide
PubChem CID2744584
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNc2c(Cl)cccc2Cl)n(C(C)(C)C)n1
InChIInChI=1S/C15H18Cl2N4O/c1-9-8-12(21(20-9)15(2,3)4)14(22)19-18-13-10(16)6-5-7-11(13)17/h5-8,18H,1-4H3,(H,19,22)
InChIKeyARTFBZDKQJHNGF-UHFFFAOYSA-N
XLogP4.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxamide
CID 2743116
1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10571865
5-Chloro-N-(2-chloro-4-fluorophenyl)pyrazole-3-carboxamide
CID 16659603
5-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232780
(1E)-2-(2-tert-butyl-5-methylpyrazol-3-yl)-N-(3-chloroanilino)-2-oxoethanimidoyl cyanide
CID 6104600
5-Methyl-1-phenyl-1H-pyrazole-3-carboxylic acid (3,5-dichloro-phenyl)-amide
CID 44313496
3-(tert-butyl)-1-(2,4-dichlorobenzyl)-1H-pyrazole-5-carbohydrazide
CID 2735667
N'-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-3-chlorobenzenesulfonohydrazide
CID 2809449
N-(2-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861271
(1E)-2-(2-tert-butyl-5-methylpyrazol-3-yl)-N-(4-chloroanilino)-2-oxoethanimidoyl cyanide
CID 6374007
2-tert-butyl-N'-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazole-3-carbohydrazide
CID 2744583
N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 16953134

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide?
The IUPAC name of 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide (CID 2744584) is 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide.
What is the SMILES notation for 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide?
The canonical SMILES for 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide is Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)n(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide?
The InChIKey is ARTFBZDKQJHNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-9-8-12(21(20-9)15(2,3)4)14(22)19-18-13-10(16)6-5-7-11(13)17/h5-8,18H,1-4H3,(H,19,22).
What are the key properties of 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide?
2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide has a molecular weight of 341.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N'-(2,6-dichlorophenyl)-5-methylpyrazole-3-carbohydrazide is sourced from PubChem (CID 2744584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).