1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide

C23H26N4O3 — CID 78872517

IUPAC1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cnn1Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-4-21-20(13-24-27(21)14-18-8-6-5-7-9-18)23(29)26-25-22(28)15-30-19-11-10-16(2)17(3)12-19/h5-13H,4,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyRZQYJMZJXLXXLT-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.95
Rot. Bonds7

About 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide

1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide (PubChem CID 78872517) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide
PubChem CID78872517
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cnn1Cc1ccccc1
InChIInChI=1S/C23H26N4O3/c1-4-21-20(13-24-27(21)14-18-8-6-5-7-9-18)23(29)26-25-22(28)15-30-19-11-10-16(2)17(3)12-19/h5-13H,4,14-15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyRZQYJMZJXLXXLT-UHFFFAOYSA-N
XLogP2.95
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.95
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-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
CID 78872608
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112823868
5-ethyl-N'-[2-(4-methylphenoxy)acetyl]-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 78867900

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide (CID 78872517) is 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide is CCc1c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide?
The InChIKey is RZQYJMZJXLXXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-4-21-20(13-24-27(21)14-18-8-6-5-7-9-18)23(29)26-25-22(28)15-30-19-11-10-16(2)17(3)12-19/h5-13H,4,14-15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide?
1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide has a molecular weight of 406.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide is sourced from PubChem (CID 78872517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).