5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide

C16H24N4O2 — CID 155248179

IUPAC5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide
SMILESNC(=O)c1c(C#CC2CCCCCCCCC2)nn(O)c1N
InChIInChI=1S/C16H24N4O2/c17-15-14(16(18)21)13(19-20(15)22)11-10-12-8-6-4-2-1-3-5-7-9-12/h12,22H,1-9,17H2,(H2,18,21)
InChIKeyDNHSWQCLSVHXGZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.29
Rot. Bonds1

About 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide

5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide (PubChem CID 155248179) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide
PubChem CID155248179
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide
SMILESNC(=O)c1c(C#CC2CCCCCCCCC2)nn(O)c1N
InChIInChI=1S/C16H24N4O2/c17-15-14(16(18)21)13(19-20(15)22)11-10-12-8-6-4-2-1-3-5-7-9-12/h12,22H,1-9,17H2,(H2,18,21)
InChIKeyDNHSWQCLSVHXGZ-UHFFFAOYSA-N
XLogP2.29
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide 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 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide (CID 155248179) is 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide is NC(=O)c1c(C#CC2CCCCCCCCC2)nn(O)c1N.
What is the InChIKey of 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide?
The InChIKey is DNHSWQCLSVHXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c17-15-14(16(18)21)13(19-20(15)22)11-10-12-8-6-4-2-1-3-5-7-9-12/h12,22H,1-9,17H2,(H2,18,21).
What are the key properties of 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide?
5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-cyclodecylethynyl)-1-hydroxypyrazole-4-carboxamide is sourced from PubChem (CID 155248179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).