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

C16H13N3O — CID 134134408

IUPACN-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C16H13N3O/c1-2-15(20)17-12-7-5-6-11(10-12)16-13-8-3-4-9-14(13)18-19-16/h2-10H,1H2,(H,17,20)(H,18,19)
InChIKeySYTUFLIGWRGQDS-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.35
Rot. Bonds3

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

N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide (PubChem CID 134134408) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide
PubChem CID134134408
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1
InChIInChI=1S/C16H13N3O/c1-2-15(20)17-12-7-5-6-11(10-12)16-13-8-3-4-9-14(13)18-19-16/h2-10H,1H2,(H,17,20)(H,18,19)
InChIKeySYTUFLIGWRGQDS-UHFFFAOYSA-N
XLogP3.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide (CID 134134408) is N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide?
The InChIKey is SYTUFLIGWRGQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-15(20)17-12-7-5-6-11(10-12)16-13-8-3-4-9-14(13)18-19-16/h2-10H,1H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide?
N-[3-(1H-indazol-3-yl)phenyl]prop-2-enamide has a molecular weight of 263.30 g/mol, XLogP of 3.35, 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-3-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 134134408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).