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

C17H22N4O3 — CID 4795348

IUPACN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide
SMILESCc1cccc(OCCC(=O)NNC(=O)Cn2nc(C)cc2C)c1
InChIInChI=1S/C17H22N4O3/c1-12-5-4-6-15(9-12)24-8-7-16(22)18-19-17(23)11-21-14(3)10-13(2)20-21/h4-6,9-10H,7-8,11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyFFQSGMOICGDHGK-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.42
Rot. Bonds6

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

N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide (PubChem CID 4795348) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide
PubChem CID4795348
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide
SMILESCc1cccc(OCCC(=O)NNC(=O)Cn2nc(C)cc2C)c1
InChIInChI=1S/C17H22N4O3/c1-12-5-4-6-15(9-12)24-8-7-16(22)18-19-17(23)11-21-14(3)10-13(2)20-21/h4-6,9-10H,7-8,11H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyFFQSGMOICGDHGK-UHFFFAOYSA-N
XLogP1.42
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.42
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 N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide (CID 4795348) is N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide is Cc1cccc(OCCC(=O)NNC(=O)Cn2nc(C)cc2C)c1.
What is the InChIKey of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide?
The InChIKey is FFQSGMOICGDHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-5-4-6-15(9-12)24-8-7-16(22)18-19-17(23)11-21-14(3)10-13(2)20-21/h4-6,9-10H,7-8,11H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide?
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide has a molecular weight of 330.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-(3-methylphenoxy)propanehydrazide is sourced from PubChem (CID 4795348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).