4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide

C28H28N4O4 — CID 167832722

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)n1
InChIInChI=1S/C28H28N4O4/c1-20-16-21(2)32(31-20)17-22-8-10-24(11-9-22)28(34)30-29-27(33)19-36-26-14-12-25(13-15-26)35-18-23-6-4-3-5-7-23/h3-16H,17-19H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyIOJHNLYUEQNNIS-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.97
Rot. Bonds9

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide (PubChem CID 167832722) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
PubChem CID167832722
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)n1
InChIInChI=1S/C28H28N4O4/c1-20-16-21(2)32(31-20)17-22-8-10-24(11-9-22)28(34)30-29-27(33)19-36-26-14-12-25(13-15-26)35-18-23-6-4-3-5-7-23/h3-16H,17-19H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyIOJHNLYUEQNNIS-UHFFFAOYSA-N
XLogP3.97
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
N'-[2-(4-chlorophenoxy)acetyl]-4-(3,5-dimethylpyrazol-1-yl)benzohydrazide
CID 2511372
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 26594562
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-(3-anilino-3-oxopropyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 131903962
methyl 2-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]benzoate
CID 100584704
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19293688
N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide
CID 47022209
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100584519
N-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 138391760
N-[2-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 22108267
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide (CID 167832722) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide is Cc1cc(C)n(Cc2ccc(C(=O)NNC(=O)COc3ccc(OCc4ccccc4)cc3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is IOJHNLYUEQNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-20-16-21(2)32(31-20)17-22-8-10-24(11-9-22)28(34)30-29-27(33)19-36-26-14-12-25(13-15-26)35-18-23-6-4-3-5-7-23/h3-16H,17-19H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 484.56 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 167832722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).