3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide

C18H24N4O3 — CID 78893331

IUPAC3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc(C(C)(C)C)nn2C)cc1
InChIInChI=1S/C18H24N4O3/c1-12-6-8-13(9-7-12)25-11-16(23)19-20-17(24)14-10-15(18(2,3)4)21-22(14)5/h6-10H,11H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyPUDGXJVGBCNBBB-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.87
Rot. Bonds4

About 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide

3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide (PubChem CID 78893331) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide
PubChem CID78893331
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc(C(C)(C)C)nn2C)cc1
InChIInChI=1S/C18H24N4O3/c1-12-6-8-13(9-7-12)25-11-16(23)19-20-17(24)14-10-15(18(2,3)4)21-22(14)5/h6-10H,11H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyPUDGXJVGBCNBBB-UHFFFAOYSA-N
XLogP1.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-4-carbohydrazide
CID 78836123
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide
CID 42732663
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 174498929
N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3321462
3-tert-butyl-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-methylpyrazole-5-carbohydrazide
CID 78894028
2,6-dimethyl-N'-[2-(4-methylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 78895668
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide?
The IUPAC name of 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide (CID 78893331) is 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide?
The canonical SMILES for 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2cc(C(C)(C)C)nn2C)cc1.
What is the InChIKey of 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide?
The InChIKey is PUDGXJVGBCNBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-6-8-13(9-7-12)25-11-16(23)19-20-17(24)14-10-15(18(2,3)4)21-22(14)5/h6-10H,11H2,1-5H3,(H,19,23)(H,20,24).
What are the key properties of 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide?
3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide has a molecular weight of 344.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N'-[2-(4-methylphenoxy)acetyl]pyrazole-5-carbohydrazide is sourced from PubChem (CID 78893331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).