N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide

C21H22N4O2 — CID 9327562

IUPACN'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)17-11-9-15(10-12-17)19(26)23-24-20(27)16-13-22-25(14-16)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,26)(H,24,27)
InChIKeyVNNPXIVYYFDRPO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.24
Rot. Bonds3

About N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide

N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide (PubChem CID 9327562) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
PubChem CID9327562
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCC(C)(C)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)17-11-9-15(10-12-17)19(26)23-24-20(27)16-13-22-25(14-16)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,26)(H,24,27)
InChIKeyVNNPXIVYYFDRPO-UHFFFAOYSA-N
XLogP3.24
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 26313374
N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9321094
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9324440
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide (CID 9327562) is N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide is CC(C)(C)c1ccc(C(=O)NNC(=O)c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is VNNPXIVYYFDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-21(2,3)17-11-9-15(10-12-17)19(26)23-24-20(27)16-13-22-25(14-16)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide?
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 362.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9327562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).