N,N-diamino-5-oxopyrazole-3-carboxamide

C4H5N5O2 — CID 56637963

IUPACN,N-diamino-5-oxopyrazole-3-carboxamide
SMILESNN(N)C(=O)C1=CC(=O)N=N1
InChIInChI=1S/C4H5N5O2/c5-9(6)4(11)2-1-3(10)8-7-2/h1H,5-6H2
InChIKeyHTVZKALCQNYRPJ-UHFFFAOYSA-N
MW155.12 g/mol
LogP-1.56
Rot. Bonds1

About N,N-diamino-5-oxopyrazole-3-carboxamide

N,N-diamino-5-oxopyrazole-3-carboxamide (PubChem CID 56637963) has the molecular formula C4H5N5O2 and a molecular weight of 155.12 g/mol. Its IUPAC name is N,N-diamino-5-oxopyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diamino-5-oxopyrazole-3-carboxamide
PubChem CID56637963
Molecular FormulaC4H5N5O2
Molecular Weight155.12 g/mol
Exact Mass155.04
IUPAC NameN,N-diamino-5-oxopyrazole-3-carboxamide
SMILESNN(N)C(=O)C1=CC(=O)N=N1
InChIInChI=1S/C4H5N5O2/c5-9(6)4(11)2-1-3(10)8-7-2/h1H,5-6H2
InChIKeyHTVZKALCQNYRPJ-UHFFFAOYSA-N
XLogP-1.56
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 5-1.56
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 N,N-diamino-5-oxopyrazole-3-carboxamide?
The IUPAC name of N,N-diamino-5-oxopyrazole-3-carboxamide (CID 56637963) is N,N-diamino-5-oxopyrazole-3-carboxamide.
What is the SMILES notation for N,N-diamino-5-oxopyrazole-3-carboxamide?
The canonical SMILES for N,N-diamino-5-oxopyrazole-3-carboxamide is NN(N)C(=O)C1=CC(=O)N=N1.
What is the InChIKey of N,N-diamino-5-oxopyrazole-3-carboxamide?
The InChIKey is HTVZKALCQNYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O2/c5-9(6)4(11)2-1-3(10)8-7-2/h1H,5-6H2.
What are the key properties of N,N-diamino-5-oxopyrazole-3-carboxamide?
N,N-diamino-5-oxopyrazole-3-carboxamide has a molecular weight of 155.12 g/mol, XLogP of -1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diamino-5-oxopyrazole-3-carboxamide is sourced from PubChem (CID 56637963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).