tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate

C17H23N3O2 — CID 167016878

IUPACtert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate
SMILESCc1ccc2n[nH]c(C3CCN(C(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C17H23N3O2/c1-11-5-6-14-13(9-11)15(19-18-14)12-7-8-20(10-12)16(21)22-17(2,3)4/h5-6,9,12H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyROQZWCXYXCTUJG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.60
Rot. Bonds1

About tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate

tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate (PubChem CID 167016878) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate
PubChem CID167016878
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nametert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate
SMILESCc1ccc2n[nH]c(C3CCN(C(=O)OC(C)(C)C)C3)c2c1
InChIInChI=1S/C17H23N3O2/c1-11-5-6-14-13(9-11)15(19-18-14)12-7-8-20(10-12)16(21)22-17(2,3)4/h5-6,9,12H,7-8,10H2,1-4H3,(H,18,19)
InChIKeyROQZWCXYXCTUJG-UHFFFAOYSA-N
XLogP3.60
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate
CID 167016405
5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxylic acid
CID 22308523
tert-butyl 3-(2,6-dimethyl-4-pyridinyl)pyrrolidine-1-carboxylate
CID 135135114
tert-butyl (5aR,10bS)-9-methyl-3,4,5,5a,6,10b-hexahydro-1H-azepino[4,3-b]indole-2-carboxylate
CID 140575490
tert-butyl 3-(3-bromo-5-methylphenyl)pyrrolidine-1-carboxylate
CID 169498844
tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3-chloro-6-methyl-9H-carbazole;ethane
CID 145273604
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-1-carboxylate
CID 169498563
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate (CID 167016878) is tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate is Cc1ccc2n[nH]c(C3CCN(C(=O)OC(C)(C)C)C3)c2c1.
What is the InChIKey of tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is ROQZWCXYXCTUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-5-6-14-13(9-11)15(19-18-14)12-7-8-20(10-12)16(21)22-17(2,3)4/h5-6,9,12H,7-8,10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate?
tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 167016878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).