3-(6-nitro-1H-indazol-3-yl)prop-2-enamide

C10H8N4O3 — CID 169482793

IUPAC3-(6-nitro-1H-indazol-3-yl)prop-2-enamide
SMILESNC(=O)C=Cc1n[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C10H8N4O3/c11-10(15)4-3-8-7-2-1-6(14(16)17)5-9(7)13-12-8/h1-5H,(H2,11,15)(H,12,13)
InChIKeyWPFGXQHWJLHCQO-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.97
Rot. Bonds3

About 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide

3-(6-nitro-1H-indazol-3-yl)prop-2-enamide (PubChem CID 169482793) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-nitro-1H-indazol-3-yl)prop-2-enamide
PubChem CID169482793
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name3-(6-nitro-1H-indazol-3-yl)prop-2-enamide
SMILESNC(=O)C=Cc1n[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C10H8N4O3/c11-10(15)4-3-8-7-2-1-6(14(16)17)5-9(7)13-12-8/h1-5H,(H2,11,15)(H,12,13)
InChIKeyWPFGXQHWJLHCQO-UHFFFAOYSA-N
XLogP0.97
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide 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

3-(3-chloroprop-1-enyl)-6-nitro-1H-indazole
CID 169478390
3-(3-nitrophenyl)prop-2-enamide
CID 692292
3-(6-cyano-1H-indazol-3-yl)prop-2-enoic acid
CID 68754325
1-[3-[(E)-3-morpholin-4-ylprop-1-enyl]-1H-indazol-6-yl]-3-(4-nitrophenyl)urea
CID 54766422
methyl 3-(5-nitro-2H-indazol-3-yl)prop-2-enoate
CID 169479593
N,N-dimethyl-4-(6-nitro-1H-indazol-3-yl)aniline
CID 10286156
3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-nitro-1H-indazole
CID 162715701
1-chloro-4-(6-nitro-1H-indol-3-yl)but-3-en-2-one
CID 77040039
3-[2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-1H-indazol-6-amine
CID 91282547
7-nitro-1H-quinazoline-2,4-dione
CID 3398113
(4-nitrophenyl) (Z)-4-amino-4-oxobut-2-enoate
CID 67832238
(Z)-3-(3-bromo-5-nitrophenyl)prop-2-enamide
CID 91679777

Frequently Asked Questions

What is the IUPAC name of 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide?
The IUPAC name of 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide (CID 169482793) is 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide?
The canonical SMILES for 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide is NC(=O)C=Cc1n[nH]c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide?
The InChIKey is WPFGXQHWJLHCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c11-10(15)4-3-8-7-2-1-6(14(16)17)5-9(7)13-12-8/h1-5H,(H2,11,15)(H,12,13).
What are the key properties of 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide?
3-(6-nitro-1H-indazol-3-yl)prop-2-enamide has a molecular weight of 232.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-nitro-1H-indazol-3-yl)prop-2-enamide is sourced from PubChem (CID 169482793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).