tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate

C15H20N2O3 — CID 123586260

IUPACtert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
SMILESCCc1nn(CC(=O)OC(C)(C)C)c2ccc(O)cc12
InChIInChI=1S/C15H20N2O3/c1-5-12-11-8-10(18)6-7-13(11)17(16-12)9-14(19)20-15(2,3)4/h6-8,18H,5,9H2,1-4H3
InChIKeyGSUDLAYCNSJHMN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.65
Rot. Bonds3

About tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate

tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate (PubChem CID 123586260) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
PubChem CID123586260
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
SMILESCCc1nn(CC(=O)OC(C)(C)C)c2ccc(O)cc12
InChIInChI=1S/C15H20N2O3/c1-5-12-11-8-10(18)6-7-13(11)17(16-12)9-14(19)20-15(2,3)4/h6-8,18H,5,9H2,1-4H3
InChIKeyGSUDLAYCNSJHMN-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(3-ethylpyrazolo[5,4-c]pyridin-1-yl)acetate
CID 145446449
tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate
CID 137147204
tert-butyl 2-(5-chloro-3-iodoindazol-1-yl)acetate
CID 129217032
methyl 3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-5-carboxylate
CID 118322422
tert-butyl 2-(3-amino-6-bromoindazol-1-yl)acetate
CID 155977865
tert-butyl 2-(3-carbamoyl-5-pyrrolidin-1-ylindazol-1-yl)acetate
CID 142496039
tert-butyl 2-[3-acetyl-5-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]indazol-1-yl]acetate
CID 126623181
tert-butyl 2-[3-carbamoyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate
CID 142420766
benzyl 3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-6-carboxylate
CID 135318077
tert-butyl 2-(3-iodo-5,7-dihydrofuro[3,4-f]indazol-1-yl)acetate
CID 178100346
tert-butyl 2-(3-iodo-5-methylpyrazol-1-yl)acetate
CID 135395562
tert-butyl 2-(5-iodo-3-methylpyrazol-1-yl)acetate
CID 135397508

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate (CID 123586260) is tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate is CCc1nn(CC(=O)OC(C)(C)C)c2ccc(O)cc12.
What is the InChIKey of tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate?
The InChIKey is GSUDLAYCNSJHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-12-11-8-10(18)6-7-13(11)17(16-12)9-14(19)20-15(2,3)4/h6-8,18H,5,9H2,1-4H3.
What are the key properties of tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate?
tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate has a molecular weight of 276.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate is sourced from PubChem (CID 123586260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).