N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide

C17H15N3O2 — CID 162527290

IUPACN-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3[nH]nc(OC)c3c2)c1
InChIInChI=1S/C17H15N3O2/c1-3-16(21)18-13-6-4-5-11(9-13)12-7-8-15-14(10-12)17(22-2)20-19-15/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
InChIKeyCIRMFXKBPBTGOC-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.36
Rot. Bonds4

About N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide

N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide (PubChem CID 162527290) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide
PubChem CID162527290
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3[nH]nc(OC)c3c2)c1
InChIInChI=1S/C17H15N3O2/c1-3-16(21)18-13-6-4-5-11(9-13)12-7-8-15-14(10-12)17(22-2)20-19-15/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
InChIKeyCIRMFXKBPBTGOC-UHFFFAOYSA-N
XLogP3.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide (CID 162527290) is N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccc3[nH]nc(OC)c3c2)c1.
What is the InChIKey of N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide?
The InChIKey is CIRMFXKBPBTGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-3-16(21)18-13-6-4-5-11(9-13)12-7-8-15-14(10-12)17(22-2)20-19-15/h3-10H,1H2,2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide?
N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 293.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 162527290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).