4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide

C19H24N4O3 — CID 7969384

IUPAC4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NNC(=O)Cn2nc(C)cc2C)c1
InChIInChI=1S/C19H24N4O3/c1-12-5-6-13(2)16(9-12)17(24)7-8-18(25)20-21-19(26)11-23-15(4)10-14(3)22-23/h5-6,9-10H,7-8,11H2,1-4H3,(H,20,25)(H,21,26)
InChIKeyROXONUQBSSNLJM-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.93
Rot. Bonds6

About 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide

4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide (PubChem CID 7969384) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide
PubChem CID7969384
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NNC(=O)Cn2nc(C)cc2C)c1
InChIInChI=1S/C19H24N4O3/c1-12-5-6-13(2)16(9-12)17(24)7-8-18(25)20-21-19(26)11-23-15(4)10-14(3)22-23/h5-6,9-10H,7-8,11H2,1-4H3,(H,20,25)(H,21,26)
InChIKeyROXONUQBSSNLJM-UHFFFAOYSA-N
XLogP1.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.93
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 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide (CID 7969384) is 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide is Cc1ccc(C)c(C(=O)CCC(=O)NNC(=O)Cn2nc(C)cc2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide?
The InChIKey is ROXONUQBSSNLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12-5-6-13(2)16(9-12)17(24)7-8-18(25)20-21-19(26)11-23-15(4)10-14(3)22-23/h5-6,9-10H,7-8,11H2,1-4H3,(H,20,25)(H,21,26).
What are the key properties of 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide?
4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide has a molecular weight of 356.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-oxobutanehydrazide is sourced from PubChem (CID 7969384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).