tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate

C10H17FN4O2 — CID 146680392

IUPACtert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(CCF)nc1N
InChIInChI=1S/C10H17FN4O2/c1-10(2,3)17-9(16)13-7-6-15(5-4-11)14-8(7)12/h6H,4-5H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyAOJVWBCUTFARKD-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.78
Rot. Bonds3

About tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate

tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate (PubChem CID 146680392) has the molecular formula C10H17FN4O2 and a molecular weight of 244.27 g/mol. Its IUPAC name is tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate
PubChem CID146680392
Molecular FormulaC10H17FN4O2
Molecular Weight244.27 g/mol
Exact Mass244.13
IUPAC Nametert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cn(CCF)nc1N
InChIInChI=1S/C10H17FN4O2/c1-10(2,3)17-9(16)13-7-6-15(5-4-11)14-8(7)12/h6H,4-5H2,1-3H3,(H2,12,14)(H,13,16)
InChIKeyAOJVWBCUTFARKD-UHFFFAOYSA-N
XLogP1.78
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate (CID 146680392) is tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cn(CCF)nc1N.
What is the InChIKey of tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate?
The InChIKey is AOJVWBCUTFARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O2/c1-10(2,3)17-9(16)13-7-6-15(5-4-11)14-8(7)12/h6H,4-5H2,1-3H3,(H2,12,14)(H,13,16).
What are the key properties of tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate?
tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate has a molecular weight of 244.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-1-(2-fluoroethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 146680392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).