N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide

C22H24N4O3 — CID 32743558

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide
SMILESCc1cccc(COc2cccc(C(=O)NNC(=O)Cn3nc(C)cc3C)c2)c1
InChIInChI=1S/C22H24N4O3/c1-15-6-4-7-18(10-15)14-29-20-9-5-8-19(12-20)22(28)24-23-21(27)13-26-17(3)11-16(2)25-26/h4-12H,13-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyBIZVZKYXCNUKNU-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.85
Rot. Bonds6

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide (PubChem CID 32743558) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide
PubChem CID32743558
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide
SMILESCc1cccc(COc2cccc(C(=O)NNC(=O)Cn3nc(C)cc3C)c2)c1
InChIInChI=1S/C22H24N4O3/c1-15-6-4-7-18(10-15)14-29-20-9-5-8-19(12-20)22(28)24-23-21(27)13-26-17(3)11-16(2)25-26/h4-12H,13-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyBIZVZKYXCNUKNU-UHFFFAOYSA-N
XLogP2.85
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
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-[2-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 18280546
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2,4-dimethylbenzohydrazide
CID 26614017
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 167832722
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide (CID 32743558) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide is Cc1cccc(COc2cccc(C(=O)NNC(=O)Cn3nc(C)cc3C)c2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide?
The InChIKey is BIZVZKYXCNUKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-6-4-7-18(10-15)14-29-20-9-5-8-19(12-20)22(28)24-23-21(27)13-26-17(3)11-16(2)25-26/h4-12H,13-14H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide has a molecular weight of 392.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-[(3-methylphenyl)methoxy]benzohydrazide is sourced from PubChem (CID 32743558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).