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

C17H22N4O2 — CID 25162423

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CC(C)c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c1-12(15-7-5-4-6-8-15)9-16(22)18-19-17(23)11-21-14(3)10-13(2)20-21/h4-8,10,12H,9,11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyXWEXAJWGJHLOHK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.84
Rot. Bonds5

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

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide (PubChem CID 25162423) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide
PubChem CID25162423
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide
SMILESCc1cc(C)n(CC(=O)NNC(=O)CC(C)c2ccccc2)n1
InChIInChI=1S/C17H22N4O2/c1-12(15-7-5-4-6-8-15)9-16(22)18-19-17(23)11-21-14(3)10-13(2)20-21/h4-8,10,12H,9,11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyXWEXAJWGJHLOHK-UHFFFAOYSA-N
XLogP1.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenylbutanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide (CID 25162423) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide is Cc1cc(C)n(CC(=O)NNC(=O)CC(C)c2ccccc2)n1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide?
The InChIKey is XWEXAJWGJHLOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(15-7-5-4-6-8-15)9-16(22)18-19-17(23)11-21-14(3)10-13(2)20-21/h4-8,10,12H,9,11H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide has a molecular weight of 314.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylbutanehydrazide is sourced from PubChem (CID 25162423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).