3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide

C7H12N4O2 — CID 3471454

IUPAC3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide
SMILESCC1=NNC(=O)C1CCC(=O)NN
InChIInChI=1S/C7H12N4O2/c1-4-5(7(13)11-10-4)2-3-6(12)9-8/h5H,2-3,8H2,1H3,(H,9,12)(H,11,13)
InChIKeyVBGJEBWJNPXDRF-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.12
Rot. Bonds3

About 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide

3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide (PubChem CID 3471454) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound Name3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide
PubChem CID3471454
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide
SMILESCC1=NNC(=O)C1CCC(=O)NN
InChIInChI=1S/C7H12N4O2/c1-4-5(7(13)11-10-4)2-3-6(12)9-8/h5H,2-3,8H2,1H3,(H,9,12)(H,11,13)
InChIKeyVBGJEBWJNPXDRF-UHFFFAOYSA-N
XLogP-1.12
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide?
The IUPAC name of 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide (CID 3471454) is 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide.
What is the SMILES notation for 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide?
The canonical SMILES for 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide is CC1=NNC(=O)C1CCC(=O)NN.
What is the InChIKey of 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide?
The InChIKey is VBGJEBWJNPXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4-5(7(13)11-10-4)2-3-6(12)9-8/h5H,2-3,8H2,1H3,(H,9,12)(H,11,13).
What are the key properties of 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide?
3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide has a molecular weight of 184.20 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 3471454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).