3-amino-5-ethynyl-1H-pyrazole-4-carboxamide

C6H6N4O — CID 168927539

IUPAC3-amino-5-ethynyl-1H-pyrazole-4-carboxamide
SMILESC#Cc1[nH]nc(N)c1C(N)=O
InChIInChI=1S/C6H6N4O/c1-2-3-4(6(8)11)5(7)10-9-3/h1H,(H2,8,11)(H3,7,9,10)
InChIKeyOBEMZVLLXGRRNR-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.93
Rot. Bonds1

About 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide

3-amino-5-ethynyl-1H-pyrazole-4-carboxamide (PubChem CID 168927539) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-ethynyl-1H-pyrazole-4-carboxamide
PubChem CID168927539
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3-amino-5-ethynyl-1H-pyrazole-4-carboxamide
SMILESC#Cc1[nH]nc(N)c1C(N)=O
InChIInChI=1S/C6H6N4O/c1-2-3-4(6(8)11)5(7)10-9-3/h1H,(H2,8,11)(H3,7,9,10)
InChIKeyOBEMZVLLXGRRNR-UHFFFAOYSA-N
XLogP-0.93
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-ethynyl-1H-pyrazole-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

Related Compounds

5-amino-3-methyl-1H-pyrazole-4-carboxamide
CID 358965
3-amino-5-methyl-1H-pyrazole-4-carbaldehyde
CID 15687151
5-amino-N,3-dimethyl-1H-pyrazole-4-carboxamide
CID 43159399
5-hydrazino-3-methyl-1H-pyrazole-4-carbohydrazide
CID 1201368
5-amino-3-methyl-1H-pyrazole-4-carboxamide sulphate
CID 71671601
3-amino-5-(2-cyclodecylethynyl)-1H-pyrazole-4-carboxamide
CID 155248178
ethane;5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380687
5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380688
5-Amino-1-iodo-3-prop-1-ynylpyrazole-4-carboxamide
CID 166809316
3-amino-5-(2-cycloundecylethynyl)-1H-pyrazole-4-carboxamide
CID 169603781
5-ethynyl-3-(methylamino)-1H-pyrazole-4-carboxamide;dihydrochloride
CID 175915186
5-amino-N,N,3-trimethyl-1H-pyrazole-4-carboxamide
CID 43159631

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide (CID 168927539) is 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide is C#Cc1[nH]nc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide?
The InChIKey is OBEMZVLLXGRRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-2-3-4(6(8)11)5(7)10-9-3/h1H,(H2,8,11)(H3,7,9,10).
What are the key properties of 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide?
3-amino-5-ethynyl-1H-pyrazole-4-carboxamide has a molecular weight of 150.14 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethynyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 168927539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).