phosphanyl 5-amino-1H-pyrazole-4-carboxylate

C4H6N3O2P — CID 90304947

IUPACphosphanyl 5-amino-1H-pyrazole-4-carboxylate
SMILESNc1[nH]ncc1C(=O)OP
InChIInChI=1S/C4H6N3O2P/c5-3-2(1-6-7-3)4(8)9-10/h1H,10H2,(H3,5,6,7)
InChIKeyYRDMNOAZYIGZFD-UHFFFAOYSA-N
MW159.09 g/mol
LogP-0.06
Rot. Bonds1

About phosphanyl 5-amino-1H-pyrazole-4-carboxylate

phosphanyl 5-amino-1H-pyrazole-4-carboxylate (PubChem CID 90304947) has the molecular formula C4H6N3O2P and a molecular weight of 159.09 g/mol. Its IUPAC name is phosphanyl 5-amino-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namephosphanyl 5-amino-1H-pyrazole-4-carboxylate
PubChem CID90304947
Molecular FormulaC4H6N3O2P
Molecular Weight159.09 g/mol
Exact Mass159.02
IUPAC Namephosphanyl 5-amino-1H-pyrazole-4-carboxylate
SMILESNc1[nH]ncc1C(=O)OP
InChIInChI=1S/C4H6N3O2P/c5-3-2(1-6-7-3)4(8)9-10/h1H,10H2,(H3,5,6,7)
InChIKeyYRDMNOAZYIGZFD-UHFFFAOYSA-N
XLogP-0.06
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze phosphanyl 5-amino-1H-pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phosphanyl 5-amino-1H-pyrazole-4-carboxylate?
The IUPAC name of phosphanyl 5-amino-1H-pyrazole-4-carboxylate (CID 90304947) is phosphanyl 5-amino-1H-pyrazole-4-carboxylate.
What is the SMILES notation for phosphanyl 5-amino-1H-pyrazole-4-carboxylate?
The canonical SMILES for phosphanyl 5-amino-1H-pyrazole-4-carboxylate is Nc1[nH]ncc1C(=O)OP.
What is the InChIKey of phosphanyl 5-amino-1H-pyrazole-4-carboxylate?
The InChIKey is YRDMNOAZYIGZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N3O2P/c5-3-2(1-6-7-3)4(8)9-10/h1H,10H2,(H3,5,6,7).
What are the key properties of phosphanyl 5-amino-1H-pyrazole-4-carboxylate?
phosphanyl 5-amino-1H-pyrazole-4-carboxylate has a molecular weight of 159.09 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 5-amino-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 90304947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).