tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate

C17H23N3O4 — CID 135929578

IUPACtert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate
SMILESCN(C)C(=O)CCc1nn(C(=O)OC(C)(C)C)c2cc(O)ccc12
InChIInChI=1S/C17H23N3O4/c1-17(2,3)24-16(23)20-14-10-11(21)6-7-12(14)13(18-20)8-9-15(22)19(4)5/h6-7,10,21H,8-9H2,1-5H3
InChIKeyFEFTZXFYIKZAJP-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.55
Rot. Bonds3

About tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate

tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate (PubChem CID 135929578) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate
PubChem CID135929578
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nametert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate
SMILESCN(C)C(=O)CCc1nn(C(=O)OC(C)(C)C)c2cc(O)ccc12
InChIInChI=1S/C17H23N3O4/c1-17(2,3)24-16(23)20-14-10-11(21)6-7-12(14)13(18-20)8-9-15(22)19(4)5/h6-7,10,21H,8-9H2,1-5H3
InChIKeyFEFTZXFYIKZAJP-UHFFFAOYSA-N
XLogP2.55
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-methylindazole-1-carboxylate
CID 70660042
tert-butyl 3-(2-bromoethyl)indazole-1-carboxylate
CID 174529401
tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate
CID 76846195
tert-butyl 3-(bromomethyl)-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate
CID 158397860
tert-butyl 3-amino-6-methylindazole-1-carboxylate
CID 71659334
tert-butyl 5-hydroxyindazole-1-carboxylate
CID 118798018
tert-butyl 3-methoxy-6-methylindazole-1-carboxylate
CID 70660035
tert-butyl 3-chloro-6-nitroindazole-1-carboxylate
CID 18373242
tert-butyl 6-amino-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate
CID 162715858
tert-butyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromoindazole-1-carboxylate
CID 58504780
2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid
CID 155889448
tert-butyl 6-(4-fluorophenoxy)-3-methylindazole-1-carboxylate
CID 76852757

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate (CID 135929578) is tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate is CN(C)C(=O)CCc1nn(C(=O)OC(C)(C)C)c2cc(O)ccc12.
What is the InChIKey of tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate?
The InChIKey is FEFTZXFYIKZAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-17(2,3)24-16(23)20-14-10-11(21)6-7-12(14)13(18-20)8-9-15(22)19(4)5/h6-7,10,21H,8-9H2,1-5H3.
What are the key properties of tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate?
tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate is sourced from PubChem (CID 135929578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).