4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide

C5H5N5O2 — CID 51056842

IUPAC4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide
SMILESN#CC1C(=O)NN=C1C(=O)NN
InChIInChI=1S/C5H5N5O2/c6-1-2-3(5(12)8-7)9-10-4(2)11/h2H,7H2,(H,8,12)(H,10,11)
InChIKeyKSDWUMBGKIUPJK-UHFFFAOYSA-N
MW167.13 g/mol
LogP-2.40
Rot. Bonds1

About 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide

4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide (PubChem CID 51056842) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide
PubChem CID51056842
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide
SMILESN#CC1C(=O)NN=C1C(=O)NN
InChIInChI=1S/C5H5N5O2/c6-1-2-3(5(12)8-7)9-10-4(2)11/h2H,7H2,(H,8,12)(H,10,11)
InChIKeyKSDWUMBGKIUPJK-UHFFFAOYSA-N
XLogP-2.40
TPSA120.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-2.40
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 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide?
The IUPAC name of 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide (CID 51056842) is 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide.
What is the SMILES notation for 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide?
The canonical SMILES for 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide is N#CC1C(=O)NN=C1C(=O)NN.
What is the InChIKey of 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide?
The InChIKey is KSDWUMBGKIUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c6-1-2-3(5(12)8-7)9-10-4(2)11/h2H,7H2,(H,8,12)(H,10,11).
What are the key properties of 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide?
4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide has a molecular weight of 167.13 g/mol, XLogP of -2.40, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-oxo-1,4-dihydropyrazole-3-carbohydrazide is sourced from PubChem (CID 51056842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).