1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide

C20H28N4O2 — CID 2744565

IUPAC1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-19(2,3)16-12-15(17(25)21-22-18(26)20(4,5)6)24(23-16)13-14-10-8-7-9-11-14/h7-12H,13H2,1-6H3,(H,21,25)(H,22,26)
InChIKeyMRCZUZYZHFNYGW-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.04
Rot. Bonds3

About 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide

1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide (PubChem CID 2744565) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide
PubChem CID2744565
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide
SMILESCC(C)(C)C(=O)NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-19(2,3)16-12-15(17(25)21-22-18(26)20(4,5)6)24(23-16)13-14-10-8-7-9-11-14/h7-12H,13H2,1-6H3,(H,21,25)(H,22,26)
InChIKeyMRCZUZYZHFNYGW-UHFFFAOYSA-N
XLogP3.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.04
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide (CID 2744565) is 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide is CC(C)(C)C(=O)NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide?
The InChIKey is MRCZUZYZHFNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-19(2,3)16-12-15(17(25)21-22-18(26)20(4,5)6)24(23-16)13-14-10-8-7-9-11-14/h7-12H,13H2,1-6H3,(H,21,25)(H,22,26).
What are the key properties of 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide?
1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide has a molecular weight of 356.47 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-N'-(2,2-dimethylpropanoyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 2744565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).