N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide

C20H20N4O2 — CID 46582435

IUPACN'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2ccccc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C20H20N4O2/c1-3-18-17(13-21-24(18)16-11-9-14(2)10-12-16)20(26)23-22-19(25)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKEZHJKSUHAQCHB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.82
Rot. Bonds4

About N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide

N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide (PubChem CID 46582435) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
PubChem CID46582435
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2ccccc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C20H20N4O2/c1-3-18-17(13-21-24(18)16-11-9-14(2)10-12-16)20(26)23-22-19(25)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKEZHJKSUHAQCHB-UHFFFAOYSA-N
XLogP2.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.82
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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Related Compounds

N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
CID 134034968
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
5-ethyl-1-(4-fluorophenyl)-N'-(2-hydroxybenzoyl)pyrazole-4-carbohydrazide
CID 31978367
5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
CID 55580357
5-ethyl-N-(3-hydroxypropyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78854292
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide?
The IUPAC name of N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide (CID 46582435) is N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide is CCc1c(C(=O)NNC(=O)c2ccccc2)cnn1-c1ccc(C)cc1.
What is the InChIKey of N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide?
The InChIKey is KEZHJKSUHAQCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-18-17(13-21-24(18)16-11-9-14(2)10-12-16)20(26)23-22-19(25)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide?
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide has a molecular weight of 348.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 46582435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).