1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide

C11H19N5O2 — CID 64781879

IUPAC1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(CCC(=O)NN)n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C11H19N5O2/c1-8(4-5-10(17)13-12)16-7-6-9(14-16)11(18)15(2)3/h6-8H,4-5,12H2,1-3H3,(H,13,17)
InChIKeyBYNVSGOJLOQPJH-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.08
Rot. Bonds5

About 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64781879) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64781879
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(CCC(=O)NN)n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C11H19N5O2/c1-8(4-5-10(17)13-12)16-7-6-9(14-16)11(18)15(2)3/h6-8H,4-5,12H2,1-3H3,(H,13,17)
InChIKeyBYNVSGOJLOQPJH-UHFFFAOYSA-N
XLogP-0.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 64781879) is 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide is CC(CCC(=O)NN)n1ccc(C(=O)N(C)C)n1.
What is the InChIKey of 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is BYNVSGOJLOQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(4-5-10(17)13-12)16-7-6-9(14-16)11(18)15(2)3/h6-8H,4-5,12H2,1-3H3,(H,13,17).
What are the key properties of 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydrazinyl-5-oxopentan-2-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64781879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).