tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate

C17H22FN3O2 — CID 59334622

IUPACtert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate
SMILESCn1cc2c(C3CC3CNC(=O)OC(C)(C)C)c(F)ccc2n1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)19-8-10-7-11(10)15-12-9-21(4)20-14(12)6-5-13(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)
InChIKeyWQLFDJCKGMJKIT-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.34
Rot. Bonds3

About tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate

tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate (PubChem CID 59334622) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate
PubChem CID59334622
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Nametert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate
SMILESCn1cc2c(C3CC3CNC(=O)OC(C)(C)C)c(F)ccc2n1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)19-8-10-7-11(10)15-12-9-21(4)20-14(12)6-5-13(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,19,22)
InChIKeyWQLFDJCKGMJKIT-UHFFFAOYSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate (CID 59334622) is tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate is Cn1cc2c(C3CC3CNC(=O)OC(C)(C)C)c(F)ccc2n1.
What is the InChIKey of tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate?
The InChIKey is WQLFDJCKGMJKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(2,3)23-16(22)19-8-10-7-11(10)15-12-9-21(4)20-14(12)6-5-13(15)18/h5-6,9-11H,7-8H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate?
tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate has a molecular weight of 319.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(5-fluoro-2-methylindazol-4-yl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 59334622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).