tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate

C9H14FN3O2 — CID 175506303

IUPACtert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate
SMILESCn1cc(F)c(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C9H14FN3O2/c1-9(2,3)15-8(14)11-7-6(10)5-13(4)12-7/h5H,1-4H3,(H,11,12,14)
InChIKeyBYSXGLCXFQALFK-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.91
Rot. Bonds1

About tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate

tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate (PubChem CID 175506303) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate
PubChem CID175506303
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Nametert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate
SMILESCn1cc(F)c(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C9H14FN3O2/c1-9(2,3)15-8(14)11-7-6(10)5-13(4)12-7/h5H,1-4H3,(H,11,12,14)
InChIKeyBYSXGLCXFQALFK-UHFFFAOYSA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate (CID 175506303) is tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate is Cn1cc(F)c(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate?
The InChIKey is BYSXGLCXFQALFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-9(2,3)15-8(14)11-7-6(10)5-13(4)12-7/h5H,1-4H3,(H,11,12,14).
What are the key properties of tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate?
tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate has a molecular weight of 215.23 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-1-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 175506303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).