4-(2H-indazol-3-yl)but-3-ynamide

C11H9N3O — CID 170473184

IUPAC4-(2H-indazol-3-yl)but-3-ynamide
SMILESNC(=O)CC#Cc1[nH]nc2ccccc12
InChIInChI=1S/C11H9N3O/c12-11(15)7-3-6-10-8-4-1-2-5-9(8)13-14-10/h1-2,4-5H,7H2,(H2,12,15)(H,13,14)
InChIKeySURHESIFMWOCJA-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.79
Rot. Bonds1

About 4-(2H-indazol-3-yl)but-3-ynamide

4-(2H-indazol-3-yl)but-3-ynamide (PubChem CID 170473184) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(2H-indazol-3-yl)but-3-ynamide.

Molecular Properties

Compound Name4-(2H-indazol-3-yl)but-3-ynamide
PubChem CID170473184
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name4-(2H-indazol-3-yl)but-3-ynamide
SMILESNC(=O)CC#Cc1[nH]nc2ccccc12
InChIInChI=1S/C11H9N3O/c12-11(15)7-3-6-10-8-4-1-2-5-9(8)13-14-10/h1-2,4-5H,7H2,(H2,12,15)(H,13,14)
InChIKeySURHESIFMWOCJA-UHFFFAOYSA-N
XLogP0.79
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2H-indazol-3-yl)but-3-ynamide 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 4-(2H-indazol-3-yl)but-3-ynamide?
The IUPAC name of 4-(2H-indazol-3-yl)but-3-ynamide (CID 170473184) is 4-(2H-indazol-3-yl)but-3-ynamide.
What is the SMILES notation for 4-(2H-indazol-3-yl)but-3-ynamide?
The canonical SMILES for 4-(2H-indazol-3-yl)but-3-ynamide is NC(=O)CC#Cc1[nH]nc2ccccc12.
What is the InChIKey of 4-(2H-indazol-3-yl)but-3-ynamide?
The InChIKey is SURHESIFMWOCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11(15)7-3-6-10-8-4-1-2-5-9(8)13-14-10/h1-2,4-5H,7H2,(H2,12,15)(H,13,14).
What are the key properties of 4-(2H-indazol-3-yl)but-3-ynamide?
4-(2H-indazol-3-yl)but-3-ynamide has a molecular weight of 199.21 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-indazol-3-yl)but-3-ynamide is sourced from PubChem (CID 170473184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).