3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide

C15H18Cl2N4O — CID 2735667

IUPAC3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NN)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2N4O/c1-15(2,3)13-7-12(14(22)19-18)21(20-13)8-9-4-5-10(16)6-11(9)17/h4-7H,8,18H2,1-3H3,(H,19,22)
InChIKeyQZTPHSIBWMQJLD-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.14
Rot. Bonds3

About 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide

3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide (PubChem CID 2735667) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide
PubChem CID2735667
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide
SMILESCC(C)(C)c1cc(C(=O)NN)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H18Cl2N4O/c1-15(2,3)13-7-12(14(22)19-18)21(20-13)8-9-4-5-10(16)6-11(9)17/h4-7H,8,18H2,1-3H3,(H,19,22)
InChIKeyQZTPHSIBWMQJLD-UHFFFAOYSA-N
XLogP3.14
TPSA72.94 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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide?
The IUPAC name of 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide (CID 2735667) is 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide?
The canonical SMILES for 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide is CC(C)(C)c1cc(C(=O)NN)n(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide?
The InChIKey is QZTPHSIBWMQJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-15(2,3)13-7-12(14(22)19-18)21(20-13)8-9-4-5-10(16)6-11(9)17/h4-7H,8,18H2,1-3H3,(H,19,22).
What are the key properties of 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide?
3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide has a molecular weight of 341.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]pyrazole-5-carbohydrazide is sourced from PubChem (CID 2735667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).