ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate

C16H19N3O5 — CID 138636354

IUPACethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(N)=O)c2ccc(C(=O)CCOC)cc21
InChIInChI=1S/C16H19N3O5/c1-3-24-14(21)9-19-12-8-10(13(20)6-7-23-2)4-5-11(12)15(18-19)16(17)22/h4-5,8H,3,6-7,9H2,1-2H3,(H2,17,22)
InChIKeyQQHSUYMCCUHLEB-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.92
Rot. Bonds8

About ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate

ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate (PubChem CID 138636354) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate
PubChem CID138636354
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Nameethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(N)=O)c2ccc(C(=O)CCOC)cc21
InChIInChI=1S/C16H19N3O5/c1-3-24-14(21)9-19-12-8-10(13(20)6-7-23-2)4-5-11(12)15(18-19)16(17)22/h4-5,8H,3,6-7,9H2,1-2H3,(H2,17,22)
InChIKeyQQHSUYMCCUHLEB-UHFFFAOYSA-N
XLogP0.92
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate (CID 138636354) is ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate is CCOC(=O)Cn1nc(C(N)=O)c2ccc(C(=O)CCOC)cc21.
What is the InChIKey of ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate?
The InChIKey is QQHSUYMCCUHLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-3-24-14(21)9-19-12-8-10(13(20)6-7-23-2)4-5-11(12)15(18-19)16(17)22/h4-5,8H,3,6-7,9H2,1-2H3,(H2,17,22).
What are the key properties of ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate?
ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate has a molecular weight of 333.34 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-carbamoyl-6-(3-methoxypropanoyl)indazol-1-yl]acetate is sourced from PubChem (CID 138636354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).