tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate

C16H20N2O2 — CID 177029457

IUPACtert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1cccc2n[nH]c(C3CC3)c12
InChIInChI=1S/C16H20N2O2/c1-16(2,3)20-13(19)9-11-5-4-6-12-14(11)15(18-17-12)10-7-8-10/h4-6,10H,7-9H2,1-3H3,(H,17,18)
InChIKeyUSFKTQWDRVLKPS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds3

About tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate

tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate (PubChem CID 177029457) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate
PubChem CID177029457
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nametert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1cccc2n[nH]c(C3CC3)c12
InChIInChI=1S/C16H20N2O2/c1-16(2,3)20-13(19)9-11-5-4-6-12-14(11)15(18-17-12)10-7-8-10/h4-6,10H,7-9H2,1-3H3,(H,17,18)
InChIKeyUSFKTQWDRVLKPS-UHFFFAOYSA-N
XLogP3.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate?
The IUPAC name of tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate (CID 177029457) is tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate is CC(C)(C)OC(=O)Cc1cccc2n[nH]c(C3CC3)c12.
What is the InChIKey of tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate?
The InChIKey is USFKTQWDRVLKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)20-13(19)9-11-5-4-6-12-14(11)15(18-17-12)10-7-8-10/h4-6,10H,7-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate?
tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate has a molecular weight of 272.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate is sourced from PubChem (CID 177029457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).