3-(6-methyl-1H-indazol-5-yl)prop-2-enamide

C11H11N3O — CID 169481932

IUPAC3-(6-methyl-1H-indazol-5-yl)prop-2-enamide
SMILESCc1cc2[nH]ncc2cc1C=CC(N)=O
InChIInChI=1S/C11H11N3O/c1-7-4-10-9(6-13-14-10)5-8(7)2-3-11(12)15/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeyDFSJKTHQOPDFEN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.37
Rot. Bonds2

About 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide

3-(6-methyl-1H-indazol-5-yl)prop-2-enamide (PubChem CID 169481932) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-methyl-1H-indazol-5-yl)prop-2-enamide
PubChem CID169481932
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-(6-methyl-1H-indazol-5-yl)prop-2-enamide
SMILESCc1cc2[nH]ncc2cc1C=CC(N)=O
InChIInChI=1S/C11H11N3O/c1-7-4-10-9(6-13-14-10)5-8(7)2-3-11(12)15/h2-6H,1H3,(H2,12,15)(H,13,14)
InChIKeyDFSJKTHQOPDFEN-UHFFFAOYSA-N
XLogP1.37
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.37
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

benzyl N-[3-(6-methyl-1H-indazol-5-yl)prop-2-enyl]carbamate
CID 169471792
5-methyl-1H-indazol-6-ol
CID 135742461
3-amino-N-(5-methyl-1H-indazol-6-yl)propanamide;hydrochloride
CID 119317530
2-hydroxyimino-N-(5-methyl-1H-indazol-6-yl)acetamide
CID 173074715
(Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide
CID 55268080
1H-indazol-5-yl carbamate
CID 145404864
6-methyl-5-propan-2-yl-1H-indazole
CID 58371515
(E)-N-(2,6-dimethylphenyl)-3-(1H-indazol-6-yl)prop-2-enamide
CID 168865120
5,6-diethyl-1H-indazole
CID 123175477
3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enamide
CID 169481644
(E)-3-(5-bromo-2-hydroxy-3-methylphenyl)prop-2-enamide
CID 131233134
(E)-3-[2-(4-chloro-3-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705547

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide?
The IUPAC name of 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide (CID 169481932) is 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide?
The canonical SMILES for 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide is Cc1cc2[nH]ncc2cc1C=CC(N)=O.
What is the InChIKey of 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide?
The InChIKey is DFSJKTHQOPDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-4-10-9(6-13-14-10)5-8(7)2-3-11(12)15/h2-6H,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide?
3-(6-methyl-1H-indazol-5-yl)prop-2-enamide has a molecular weight of 201.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1H-indazol-5-yl)prop-2-enamide is sourced from PubChem (CID 169481932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).