N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide

C20H22N4O2 — CID 7073859

IUPACN'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide
SMILESCCC1=NN(C(=O)c2ccccc2)[C@@](C)(NNC(=O)c2ccccc2)C1
InChIInChI=1S/C20H22N4O2/c1-3-17-14-20(2,23-21-18(25)15-10-6-4-7-11-15)24(22-17)19(26)16-12-8-5-9-13-16/h4-13,23H,3,14H2,1-2H3,(H,21,25)/t20-/m1/s1
InChIKeyPXJFKGXQQOFJSH-HXUWFJFHSA-N
MW350.42 g/mol
LogP2.95
Rot. Bonds5

About N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide

N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide (PubChem CID 7073859) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide
PubChem CID7073859
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide
SMILESCCC1=NN(C(=O)c2ccccc2)[C@@](C)(NNC(=O)c2ccccc2)C1
InChIInChI=1S/C20H22N4O2/c1-3-17-14-20(2,23-21-18(25)15-10-6-4-7-11-15)24(22-17)19(26)16-12-8-5-9-13-16/h4-13,23H,3,14H2,1-2H3,(H,21,25)/t20-/m1/s1
InChIKeyPXJFKGXQQOFJSH-HXUWFJFHSA-N
XLogP2.95
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.95
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'-(1-Benzoyl-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-YL)benzohydrazide
CID 3121100

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide?
The IUPAC name of N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide (CID 7073859) is N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide.
What is the SMILES notation for N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide?
The canonical SMILES for N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide is CCC1=NN(C(=O)c2ccccc2)[C@@](C)(NNC(=O)c2ccccc2)C1.
What is the InChIKey of N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide?
The InChIKey is PXJFKGXQQOFJSH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-17-14-20(2,23-21-18(25)15-10-6-4-7-11-15)24(22-17)19(26)16-12-8-5-9-13-16/h4-13,23H,3,14H2,1-2H3,(H,21,25)/t20-/m1/s1.
What are the key properties of N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide?
N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide has a molecular weight of 350.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-2-benzoyl-5-ethyl-3-methyl-4H-pyrazol-3-yl]benzohydrazide is sourced from PubChem (CID 7073859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).