2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide

C22H17N3O — CID 70003465

IUPAC2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide
SMILESNC(=O)C(=C(c1ccccc1)c1ccccc1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H17N3O/c23-22(26)20(21-17-13-7-8-14-18(17)24-25-21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H2,23,26)(H,24,25)
InChIKeyZSRCBEVAGYZTJJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.01
Rot. Bonds4

About 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide

2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide (PubChem CID 70003465) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide
PubChem CID70003465
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide
SMILESNC(=O)C(=C(c1ccccc1)c1ccccc1)c1n[nH]c2ccccc12
InChIInChI=1S/C22H17N3O/c23-22(26)20(21-17-13-7-8-14-18(17)24-25-21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H2,23,26)(H,24,25)
InChIKeyZSRCBEVAGYZTJJ-UHFFFAOYSA-N
XLogP4.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1H-indazol-3-yl)ethanone
CID 15684169
(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
CID 16578204
[(1S)-2-oxo-1,2-diphenylethyl] 1H-indazole-3-carboxylate
CID 7956396
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60636572
1H-indazole-3-carboxamide;(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octane
CID 67338966
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
7-chlorobicyclo[4.1.0]hepta-1,3,5-triene;1H-indazole-3-carboxylic acid
CID 21162316
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide?
The IUPAC name of 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide (CID 70003465) is 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide.
What is the SMILES notation for 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide?
The canonical SMILES for 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide is NC(=O)C(=C(c1ccccc1)c1ccccc1)c1n[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide?
The InChIKey is ZSRCBEVAGYZTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c23-22(26)20(21-17-13-7-8-14-18(17)24-25-21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H2,23,26)(H,24,25).
What are the key properties of 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide?
2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-3,3-diphenylprop-2-enamide is sourced from PubChem (CID 70003465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).