tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate

C10H16FN3O2 — CID 130444387

IUPACtert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnn1CCF
InChIInChI=1S/C10H16FN3O2/c1-10(2,3)16-9(15)13-8-4-6-12-14(8)7-5-11/h4,6H,5,7H2,1-3H3,(H,13,15)
InChIKeyTWJBABSTZDSEBP-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate

tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate (PubChem CID 130444387) has the molecular formula C10H16FN3O2 and a molecular weight of 229.25 g/mol. Its IUPAC name is tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate
PubChem CID130444387
Molecular FormulaC10H16FN3O2
Molecular Weight229.25 g/mol
Exact Mass229.12
IUPAC Nametert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnn1CCF
InChIInChI=1S/C10H16FN3O2/c1-10(2,3)16-9(15)13-8-4-6-12-14(8)7-5-11/h4,6H,5,7H2,1-3H3,(H,13,15)
InChIKeyTWJBABSTZDSEBP-UHFFFAOYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.20
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-(2-fluoroethyl)pyrazol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate (CID 130444387) is tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccnn1CCF.
What is the InChIKey of tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate?
The InChIKey is TWJBABSTZDSEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2/c1-10(2,3)16-9(15)13-8-4-6-12-14(8)7-5-11/h4,6H,5,7H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate?
tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate has a molecular weight of 229.25 g/mol, XLogP of 2.20, 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-(2-fluoroethyl)pyrazol-3-yl]carbamate is sourced from PubChem (CID 130444387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).