N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide

C20H20N4O3 — CID 51128117

IUPACN'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NNC(=O)c3ccccc3O)c2)n1
InChIInChI=1S/C20H20N4O3/c1-13-10-14(2)24(23-13)12-15-6-5-7-16(11-15)19(26)21-22-20(27)17-8-3-4-9-18(17)25/h3-11,25H,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyCOMDOKITYJFWFC-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.33
Rot. Bonds4

About N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide

N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide (PubChem CID 51128117) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
PubChem CID51128117
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NNC(=O)c3ccccc3O)c2)n1
InChIInChI=1S/C20H20N4O3/c1-13-10-14(2)24(23-13)12-15-6-5-7-16(11-15)19(26)21-22-20(27)17-8-3-4-9-18(17)25/h3-11,25H,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyCOMDOKITYJFWFC-UHFFFAOYSA-N
XLogP2.33
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide
CID 30124446
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35324318
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5397578
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35324427
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 47084051
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)sulfonylbenzamide
CID 110166622
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 51098490
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292552
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6165907
5-[[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226807

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide (CID 51128117) is N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide is Cc1cc(C)n(Cc2cccc(C(=O)NNC(=O)c3ccccc3O)c2)n1.
What is the InChIKey of N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide?
The InChIKey is COMDOKITYJFWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-10-14(2)24(23-13)12-15-6-5-7-16(11-15)19(26)21-22-20(27)17-8-3-4-9-18(17)25/h3-11,25H,12H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide?
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide has a molecular weight of 364.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 51128117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).