tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate

C16H20N2O2 — CID 170992050

IUPACtert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc2n[nH]c(C3CC3)c2c1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)20-14(19)9-10-4-7-13-12(8-10)15(18-17-13)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,17,18)
InChIKeyPNNHRMGIDVQWCT-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.32
Rot. Bonds3

About tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate

tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate (PubChem CID 170992050) 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-5-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate
PubChem CID170992050
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nametert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc2n[nH]c(C3CC3)c2c1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)20-14(19)9-10-4-7-13-12(8-10)15(18-17-13)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,17,18)
InChIKeyPNNHRMGIDVQWCT-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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Related Compounds

tert-butyl 2-(3-cyclopropyl-2H-indazol-4-yl)acetate
CID 177029457
tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate
CID 167016405
tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate
CID 167016878
tert-butyl 2-(3-bromo-4-formylphenyl)acetate
CID 159968952
3-cyclopentyl-2H-indazole-5-carboxylic acid
CID 105487831
tert-butyl 2-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]acetate
CID 161289804
tert-butyl 2-(2,6-dicyclopropyl-3-pyridinyl)acetate
CID 146423069
tert-butyl 2-(2-cyclopropyl-5-methoxy-1H-indol-3-yl)acetate
CID 101043058
tert-butyl 2-[6-(2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]acetate
CID 58386985
tert-butyl 2-[(2R)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3,4-dihydro-2H-chromen-6-yl]acetate
CID 148861190
N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide
CID 141134406
tert-butyl 2-(3-ethylphenyl)acetate
CID 71064752

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate?
The IUPAC name of tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate (CID 170992050) is tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate is CC(C)(C)OC(=O)Cc1ccc2n[nH]c(C3CC3)c2c1.
What is the InChIKey of tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate?
The InChIKey is PNNHRMGIDVQWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)20-14(19)9-10-4-7-13-12(8-10)15(18-17-13)11-5-6-11/h4,7-8,11H,5-6,9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate?
tert-butyl 2-(3-cyclopropyl-2H-indazol-5-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-5-yl)acetate is sourced from PubChem (CID 170992050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).