N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide

C18H24N4O4 — CID 24979913

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccccc1OCCC(=O)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C18H24N4O4/c1-4-25-15-7-5-6-8-16(15)26-10-9-17(23)19-20-18(24)12-22-14(3)11-13(2)21-22/h5-8,11H,4,9-10,12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyWCEGWDVWSAGZMW-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.52
Rot. Bonds8

About N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide (PubChem CID 24979913) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide
PubChem CID24979913
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide
SMILESCCOc1ccccc1OCCC(=O)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C18H24N4O4/c1-4-25-15-7-5-6-8-16(15)26-10-9-17(23)19-20-18(24)12-22-14(3)11-13(2)21-22/h5-8,11H,4,9-10,12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyWCEGWDVWSAGZMW-UHFFFAOYSA-N
XLogP1.52
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide (CID 24979913) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide is CCOc1ccccc1OCCC(=O)NNC(=O)Cn1nc(C)cc1C.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide?
The InChIKey is WCEGWDVWSAGZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-4-25-15-7-5-6-8-16(15)26-10-9-17(23)19-20-18(24)12-22-14(3)11-13(2)21-22/h5-8,11H,4,9-10,12H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide has a molecular weight of 360.41 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(2-ethoxyphenoxy)propanehydrazide is sourced from PubChem (CID 24979913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).