5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile

C6H9N5 — CID 63758871

IUPAC5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NN)c1C#N
InChIInChI=1S/C6H9N5/c1-4-5(3-7)6(9-8)11(2)10-4/h9H,8H2,1-2H3
InChIKeySOGSYUXUELJLBY-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.11
Rot. Bonds1

About 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile

5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63758871) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63758871
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NN)c1C#N
InChIInChI=1S/C6H9N5/c1-4-5(3-7)6(9-8)11(2)10-4/h9H,8H2,1-2H3
InChIKeySOGSYUXUELJLBY-UHFFFAOYSA-N
XLogP-0.11
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 219870
5-Amino-4-cyano-1-methyl-1H-pyrazole-3-acetonitrile
CID 734486
2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
3-amino-1,5-dimethyl-1H-pyrazole-4-carbonitrile
CID 22222305
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
3-Amino-1-methylpyrazole-4,5-dicarbonitrile
CID 5231924
5-Amino-1-methylpyrazole-3,4-dicarbonitrile
CID 21724028
5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile
CID 799242
5-Amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 18993710
5-Amino-3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carbonitrile
CID 22079581
5-Amino-1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 85701622
5-Amino-1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100762268

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile (CID 63758871) is 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NN)c1C#N.
What is the InChIKey of 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is SOGSYUXUELJLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-4-5(3-7)6(9-8)11(2)10-4/h9H,8H2,1-2H3.
What are the key properties of 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile?
5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 151.17 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63758871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).