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

C8H14N4O2 — CID 3797573

IUPAC2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide
SMILESCC1=NNC(=O)C1CC(C)C(=O)NN
InChIInChI=1S/C8H14N4O2/c1-4(7(13)10-9)3-6-5(2)11-12-8(6)14/h4,6H,3,9H2,1-2H3,(H,10,13)(H,12,14)
InChIKeySFKWVASKJRARQT-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.88
Rot. Bonds3

About 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide

2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide (PubChem CID 3797573) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide
PubChem CID3797573
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide
SMILESCC1=NNC(=O)C1CC(C)C(=O)NN
InChIInChI=1S/C8H14N4O2/c1-4(7(13)10-9)3-6-5(2)11-12-8(6)14/h4,6H,3,9H2,1-2H3,(H,10,13)(H,12,14)
InChIKeySFKWVASKJRARQT-UHFFFAOYSA-N
XLogP-0.88
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.88
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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Related Compounds

3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide
CID 3471454
(3E)-3-Hydrazonocyclopentanecarbohydrazide
CID 6368750
2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetohydrazide
CID 3727239
4,4'-methylenebis(3-methyl-1H-pyrazol-5(4H)-one)
CID 4575935
4-Butyl-2,4-dihydro-5-methyl-3H-pyrazol-3-one
CID 2725679
3-methyl-4-propyl-4,5-dihydro-1H-pyrazol-5-one
CID 2781516
4-methyl-3-propyl-4,5-dihydro-1H-pyrazol-5-one
CID 2795346
4-Ethyl-3-propyl-1H-pyrazol-5(4H)-one
CID 13040305
3,4-Diethyl-1,4-dihydropyrazol-5-one
CID 76707712
4,4'-Carbonylbis(5-methyl-2,4-dihydro-3h-pyrazol-3-one)
CID 77415502
4,4'-Thiocarbonylbis(5-methyl-2,4-dihydro-3h-pyrazol-3-one)
CID 134695033
3-Ethyl-4-propyl-1,4-dihydropyrazol-5-one
CID 134884707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide?
The IUPAC name of 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide (CID 3797573) is 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide.
What is the SMILES notation for 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide?
The canonical SMILES for 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide is CC1=NNC(=O)C1CC(C)C(=O)NN.
What is the InChIKey of 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide?
The InChIKey is SFKWVASKJRARQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4(7(13)10-9)3-6-5(2)11-12-8(6)14/h4,6H,3,9H2,1-2H3,(H,10,13)(H,12,14).
What are the key properties of 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide?
2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide has a molecular weight of 198.23 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 3797573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).