ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate

C14H21N3O3 — CID 136559139

IUPACethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1c2cn[nH]c2CCC1C
InChIInChI=1S/C14H21N3O3/c1-4-20-12(18)8-17(3)14(19)13-9(2)5-6-11-10(13)7-15-16-11/h7,9,13H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyJWCXVSOFAIJZME-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.10
Rot. Bonds4

About ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate

ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate (PubChem CID 136559139) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate
PubChem CID136559139
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nameethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1c2cn[nH]c2CCC1C
InChIInChI=1S/C14H21N3O3/c1-4-20-12(18)8-17(3)14(19)13-9(2)5-6-11-10(13)7-15-16-11/h7,9,13H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyJWCXVSOFAIJZME-UHFFFAOYSA-N
XLogP1.10
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate (CID 136559139) is ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)C1c2cn[nH]c2CCC1C.
What is the InChIKey of ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate?
The InChIKey is JWCXVSOFAIJZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-20-12(18)8-17(3)14(19)13-9(2)5-6-11-10(13)7-15-16-11/h7,9,13H,4-6,8H2,1-3H3,(H,15,16).
What are the key properties of ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate?
ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 136559139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).