N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide

C19H20N4O2 — CID 3121100

IUPACN'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide
SMILESCC1=NN(C(=O)c2ccccc2)C(C)(NNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H20N4O2/c1-14-13-19(2,22-20-17(24)15-9-5-3-6-10-15)23(21-14)18(25)16-11-7-4-8-12-16/h3-12,22H,13H2,1-2H3,(H,20,24)
InChIKeyQOWIXBAPAHRTTO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.56
Rot. Bonds4

About N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide

N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide (PubChem CID 3121100) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide
PubChem CID3121100
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide
SMILESCC1=NN(C(=O)c2ccccc2)C(C)(NNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H20N4O2/c1-14-13-19(2,22-20-17(24)15-9-5-3-6-10-15)23(21-14)18(25)16-11-7-4-8-12-16/h3-12,22H,13H2,1-2H3,(H,20,24)
InChIKeyQOWIXBAPAHRTTO-UHFFFAOYSA-N
XLogP2.56
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.56
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

phenyl-N-{[3-phenyl-1-(phenylcarbonyl)(2-pyrazolin-5-yl)]amino}carboxamide
CID 3136590
N-[2-acetyl-6-benzyl-3-methyl-3-(4-methylphenyl)-7-oxo-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl]acetamide
CID 70681103
N-(2-acetyl-6-benzyl-3-methyl-7-oxo-3-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-8-yl)acetamide
CID 70689513
Semicarbazide, 1,4-dibenzoyl-
CID 28161
[3,5-dimethyl-5-(2-methyl-2-phenylhydrazinyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 2860152
N'-(2-(Benzoylhydrazono)-1-methylpropylidene)benzohydrazide
CID 9570013
N'-(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)benzohydrazide
CID 135437929
4-methyl-N'-(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)benzohydrazide
CID 135686482
N-t-butyl N,N-dibenzoylhydrazine
CID 21610991
N,N'-bis(benzoyl) hexanedioic acid dihydrazide
CID 89761057
2-fluoro-N-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)benzamide
CID 138652617
N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
CID 14545262

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide?
The IUPAC name of N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide (CID 3121100) is N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide.
What is the SMILES notation for N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide?
The canonical SMILES for N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide is CC1=NN(C(=O)c2ccccc2)C(C)(NNC(=O)c2ccccc2)C1.
What is the InChIKey of N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide?
The InChIKey is QOWIXBAPAHRTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-13-19(2,22-20-17(24)15-9-5-3-6-10-15)23(21-14)18(25)16-11-7-4-8-12-16/h3-12,22H,13H2,1-2H3,(H,20,24).
What are the key properties of N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide?
N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide has a molecular weight of 336.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzoyl-3,5-dimethyl-4H-pyrazol-3-yl)benzohydrazide is sourced from PubChem (CID 3121100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).