1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide

C8H13N5O2 — CID 64779947

IUPAC1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide
SMILESCC(CC(=O)NN)n1ccc(C(N)=O)n1
InChIInChI=1S/C8H13N5O2/c1-5(4-7(14)11-10)13-3-2-6(12-13)8(9)15/h2-3,5H,4,10H2,1H3,(H2,9,15)(H,11,14)
InChIKeyIKYRUSNDCXNTRY-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.08
Rot. Bonds4

About 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide

1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide (PubChem CID 64779947) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide
PubChem CID64779947
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide
SMILESCC(CC(=O)NN)n1ccc(C(N)=O)n1
InChIInChI=1S/C8H13N5O2/c1-5(4-7(14)11-10)13-3-2-6(12-13)8(9)15/h2-3,5H,4,10H2,1H3,(H2,9,15)(H,11,14)
InChIKeyIKYRUSNDCXNTRY-UHFFFAOYSA-N
XLogP-1.08
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
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-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide (CID 64779947) is 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide is CC(CC(=O)NN)n1ccc(C(N)=O)n1.
What is the InChIKey of 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide?
The InChIKey is IKYRUSNDCXNTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5(4-7(14)11-10)13-3-2-6(12-13)8(9)15/h2-3,5H,4,10H2,1H3,(H2,9,15)(H,11,14).
What are the key properties of 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide?
1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydrazinyl-4-oxobutan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 64779947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).