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

C18H24N4O3 — CID 38766462

IUPAC3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCOc2cccc(C)c2C)n1
InChIInChI=1S/C18H24N4O3/c1-12-6-5-7-16(15(12)4)25-9-8-17(23)19-20-18(24)11-22-14(3)10-13(2)21-22/h5-7,10H,8-9,11H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyDZIUUQIORMGSJG-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.73
Rot. Bonds6

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

3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide (PubChem CID 38766462) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
PubChem CID38766462
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CCOc2cccc(C)c2C)n1
InChIInChI=1S/C18H24N4O3/c1-12-6-5-7-16(15(12)4)25-9-8-17(23)19-20-18(24)11-22-14(3)10-13(2)21-22/h5-7,10H,8-9,11H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyDZIUUQIORMGSJG-UHFFFAOYSA-N
XLogP1.73
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide?
The IUPAC name of 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide (CID 38766462) is 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide?
The canonical SMILES for 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)CCOc2cccc(C)c2C)n1.
What is the InChIKey of 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide?
The InChIKey is DZIUUQIORMGSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-6-5-7-16(15(12)4)25-9-8-17(23)19-20-18(24)11-22-14(3)10-13(2)21-22/h5-7,10H,8-9,11H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide?
3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide has a molecular weight of 344.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide is sourced from PubChem (CID 38766462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).