(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone

C22H17N3O — CID 91505232

IUPAC(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone
SMILESNc1cccc(C(=O)n2nc(C=Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C22H17N3O/c23-18-10-6-9-17(15-18)22(26)25-21-12-5-4-11-19(21)20(24-25)14-13-16-7-2-1-3-8-16/h1-15H,23H2
InChIKeyNHKYIYYRVAWHPL-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.48
Rot. Bonds3

About (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone

(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone (PubChem CID 91505232) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone
PubChem CID91505232
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone
SMILESNc1cccc(C(=O)n2nc(C=Cc3ccccc3)c3ccccc32)c1
InChIInChI=1S/C22H17N3O/c23-18-10-6-9-17(15-18)22(26)25-21-12-5-4-11-19(21)20(24-25)14-13-16-7-2-1-3-8-16/h1-15H,23H2
InChIKeyNHKYIYYRVAWHPL-UHFFFAOYSA-N
XLogP4.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminobenzoyl)-N-phenylindazole-3-carboxamide
CID 56670017
N-[2-[(E)-2-(1-benzoylindazol-3-yl)ethenyl]phenyl]benzamide
CID 69001823
3-(2-phenylethenyl)-6-pyrrolidin-1-ylindazole-1-carboxamide
CID 173176023
2-[1-(3-aminobenzoyl)indol-3-yl]acetic acid
CID 19101741
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
(3-aminophenyl)-phenylmethanone
CID 17817
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
3-aminobenzoic acid;azane
CID 159954068
(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
CID 102461525
(E)-3-[3-[(E)-3-(3-aminophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 88915064

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone?
The IUPAC name of (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone (CID 91505232) is (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone is Nc1cccc(C(=O)n2nc(C=Cc3ccccc3)c3ccccc32)c1.
What is the InChIKey of (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone?
The InChIKey is NHKYIYYRVAWHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c23-18-10-6-9-17(15-18)22(26)25-21-12-5-4-11-19(21)20(24-25)14-13-16-7-2-1-3-8-16/h1-15H,23H2.
What are the key properties of (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone?
(3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[3-(2-phenylethenyl)indazol-1-yl]methanone is sourced from PubChem (CID 91505232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).