tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate

C8H12FN3O2 — CID 141369905

IUPACtert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1[nH]ncc1F
InChIInChI=1S/C8H12FN3O2/c1-8(2,3)14-7(13)11-6-5(9)4-10-12-6/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyVNTASHIGQONRFL-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate

tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate (PubChem CID 141369905) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate
PubChem CID141369905
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Nametert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1[nH]ncc1F
InChIInChI=1S/C8H12FN3O2/c1-8(2,3)14-7(13)11-6-5(9)4-10-12-6/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyVNTASHIGQONRFL-UHFFFAOYSA-N
XLogP1.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate (CID 141369905) is tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1[nH]ncc1F.
What is the InChIKey of tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate?
The InChIKey is VNTASHIGQONRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-8(2,3)14-7(13)11-6-5(9)4-10-12-6/h4H,1-3H3,(H2,10,11,12,13).
What are the key properties of tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate?
tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate has a molecular weight of 201.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 141369905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).