N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide

C12H13N3O — CID 169465579

IUPACN-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H13N3O/c1-9(16)13-6-2-3-10-4-5-12-11(7-10)8-14-15-12/h2-5,7-8H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyCWQGTJFGMQOZIV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.71
Rot. Bonds3

About N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide

N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide (PubChem CID 169465579) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
PubChem CID169465579
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2[nH]ncc2c1
InChIInChI=1S/C12H13N3O/c1-9(16)13-6-2-3-10-4-5-12-11(7-10)8-14-15-12/h2-5,7-8H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyCWQGTJFGMQOZIV-UHFFFAOYSA-N
XLogP1.71
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide 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

4-(1H-indazol-5-yl)but-3-en-1-ol
CID 170476685
N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
CID 169465580
N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465575
N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide
CID 169465629
N-[3-(1H-indazol-7-yl)prop-2-enyl]acetamide
CID 169465584
N-[3-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enyl]acetamide
CID 169466178
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(3-oxo-2H-isoquinolin-6-yl)prop-2-enyl]acetamide
CID 169466218
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-(4-ethynylphenyl)prop-2-enyl]acetamide
CID 169464977
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide (CID 169465579) is N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide?
The InChIKey is CWQGTJFGMQOZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(16)13-6-2-3-10-4-5-12-11(7-10)8-14-15-12/h2-5,7-8H,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide?
N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indazol-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).