N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide

C7H12N4O — CID 15209669

IUPACN'-(2,5-dimethylpyrazol-3-yl)acetohydrazide
SMILESCC(=O)NNc1cc(C)nn1C
InChIInChI=1S/C7H12N4O/c1-5-4-7(11(3)10-5)9-8-6(2)12/h4,9H,1-3H3,(H,8,12)
InChIKeyAOKHKZYZIHTCSC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.19
Rot. Bonds2

About N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide

N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide (PubChem CID 15209669) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylpyrazol-3-yl)acetohydrazide
PubChem CID15209669
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN'-(2,5-dimethylpyrazol-3-yl)acetohydrazide
SMILESCC(=O)NNc1cc(C)nn1C
InChIInChI=1S/C7H12N4O/c1-5-4-7(11(3)10-5)9-8-6(2)12/h4,9H,1-3H3,(H,8,12)
InChIKeyAOKHKZYZIHTCSC-UHFFFAOYSA-N
XLogP0.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.19
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'-(2,5-dimethylpyrazol-3-yl)acetohydrazide?
The IUPAC name of N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide (CID 15209669) is N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide.
What is the SMILES notation for N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide?
The canonical SMILES for N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide is CC(=O)NNc1cc(C)nn1C.
What is the InChIKey of N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide?
The InChIKey is AOKHKZYZIHTCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-4-7(11(3)10-5)9-8-6(2)12/h4,9H,1-3H3,(H,8,12).
What are the key properties of N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide?
N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide has a molecular weight of 168.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylpyrazol-3-yl)acetohydrazide is sourced from PubChem (CID 15209669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).