1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide

C22H26N4O — CID 2812498

IUPAC1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide
SMILESCc1ccc(NNC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C22H26N4O/c1-16-10-12-18(13-11-16)23-24-21(27)19-14-20(22(2,3)4)25-26(19)15-17-8-6-5-7-9-17/h5-14,23H,15H2,1-4H3,(H,24,27)
InChIKeyNKIGFSGGTQFESG-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.29
Rot. Bonds5

About 1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide

1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide (PubChem CID 2812498) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide
PubChem CID2812498
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide
SMILESCc1ccc(NNC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C22H26N4O/c1-16-10-12-18(13-11-16)23-24-21(27)19-14-20(22(2,3)4)25-26(19)15-17-8-6-5-7-9-17/h5-14,23H,15H2,1-4H3,(H,24,27)
InChIKeyNKIGFSGGTQFESG-UHFFFAOYSA-N
XLogP4.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.29
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'-(4-methylphenyl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide (CID 2812498) is 1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide is Cc1ccc(NNC(=O)c2cc(C(C)(C)C)nn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide?
The InChIKey is NKIGFSGGTQFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-10-12-18(13-11-16)23-24-21(27)19-14-20(22(2,3)4)25-26(19)15-17-8-6-5-7-9-17/h5-14,23H,15H2,1-4H3,(H,24,27).
What are the key properties of 1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide?
1-benzyl-3-tert-butyl-N'-(4-methylphenyl)pyrazole-5-carbohydrazide has a molecular weight of 362.48 g/mol, XLogP of 4.29, 5 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'-(4-methylphenyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 2812498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).