N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide

C21H22N4O3 — CID 35768091

IUPACN'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)CCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C21H22N4O3/c1-16-6-5-9-19(12-16)28-15-21(27)24-23-20(26)11-10-17-13-22-25(14-17)18-7-3-2-4-8-18/h2-9,12-14H,10-11,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyHUASAYADANPGIP-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.34
Rot. Bonds7

About N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide

N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide (PubChem CID 35768091) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
PubChem CID35768091
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)CCc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C21H22N4O3/c1-16-6-5-9-19(12-16)28-15-21(27)24-23-20(26)11-10-17-13-22-25(14-17)18-7-3-2-4-8-18/h2-9,12-14H,10-11,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyHUASAYADANPGIP-UHFFFAOYSA-N
XLogP2.34
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.34
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-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
N'-[2-(2-phenylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 27568549
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 38449360
2-(2,6-dimethylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000654
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 25496915
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181
3-(2-methoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 26901623
N'-[2-(3-methoxyphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3128415
3-methyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119212150
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The IUPAC name of N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide (CID 35768091) is N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The canonical SMILES for N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide is Cc1cccc(OCC(=O)NNC(=O)CCc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
The InChIKey is HUASAYADANPGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-16-6-5-9-19(12-16)28-15-21(27)24-23-20(26)11-10-17-13-22-25(14-17)18-7-3-2-4-8-18/h2-9,12-14H,10-11,15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide?
N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide has a molecular weight of 378.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 35768091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).