N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide

C13H17N3O2 — CID 57230790

IUPACN-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1[nH]nc2ccc(OC)cc12
InChIInChI=1S/C13H17N3O2/c1-3-13(17)14-7-6-12-10-8-9(18-2)4-5-11(10)15-16-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRFZMPFSIGJRBNP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide

N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide (PubChem CID 57230790) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide
PubChem CID57230790
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1[nH]nc2ccc(OC)cc12
InChIInChI=1S/C13H17N3O2/c1-3-13(17)14-7-6-12-10-8-9(18-2)4-5-11(10)15-16-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRFZMPFSIGJRBNP-UHFFFAOYSA-N
XLogP1.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methoxyquinazolin-4-yl)ethyl]propanamide
CID 162656758
2-(5-methoxy-2H-indazol-3-yl)acetamide
CID 76846209
4-[5-methoxy-3-[2-(propanoylamino)ethyl]indol-1-yl]-4-oxobutanoic acid
CID 155529430
(E)-but-2-enedioic acid;1-(5-methoxy-2H-indazol-3-yl)propan-2-amine
CID 70287691
N-[2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]ethyl]propanamide
CID 10926166
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
3-(6-methoxy-2H-indazol-3-yl)propanenitrile
CID 84721358
6-methoxy-N-propyl-1H-indazole-3-carboxamide
CID 110469559
N-[2-(4-methoxyanilino)ethyl]propanamide
CID 12709131
3-ethyl-N-[1-(3-methoxyphenyl)propyl]-2H-indazole-5-carboxamide
CID 123846554
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
2-(5-bromo-2H-indazol-3-yl)-N-methylethanamine
CID 84729142

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide (CID 57230790) is N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide is CCC(=O)NCCc1[nH]nc2ccc(OC)cc12.
What is the InChIKey of N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide?
The InChIKey is RFZMPFSIGJRBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-13(17)14-7-6-12-10-8-9(18-2)4-5-11(10)15-16-12/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide?
N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-2H-indazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 57230790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).