N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide

C17H15N3O — CID 135398122

IUPACN-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2n[nH]c3cc(C)ccc23)c1
InChIInChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
InChIKeyYCMAZDUWLKXRRU-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.66
Rot. Bonds3

About N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide

N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide (PubChem CID 135398122) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
PubChem CID135398122
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2n[nH]c3cc(C)ccc23)c1
InChIInChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
InChIKeyYCMAZDUWLKXRRU-UHFFFAOYSA-N
XLogP3.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.66
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-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide (CID 135398122) is N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2n[nH]c3cc(C)ccc23)c1.
What is the InChIKey of N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide?
The InChIKey is YCMAZDUWLKXRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide?
N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide has a molecular weight of 277.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 135398122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).