tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate

C13H21FN4O2 — CID 118155984

IUPACtert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)C(F)C1
InChIInChI=1S/C13H21FN4O2/c1-13(2,3)20-12(19)17-5-4-11(10(14)8-17)18-7-9(15)6-16-18/h6-7,10-11H,4-5,8,15H2,1-3H3
InChIKeyKQTNGQNVMJOMCS-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.99
Rot. Bonds1

About tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate

tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate (PubChem CID 118155984) has the molecular formula C13H21FN4O2 and a molecular weight of 284.34 g/mol. Its IUPAC name is tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate
PubChem CID118155984
Molecular FormulaC13H21FN4O2
Molecular Weight284.34 g/mol
Exact Mass284.16
IUPAC Nametert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)C(F)C1
InChIInChI=1S/C13H21FN4O2/c1-13(2,3)20-12(19)17-5-4-11(10(14)8-17)18-7-9(15)6-16-18/h6-7,10-11H,4-5,8,15H2,1-3H3
InChIKeyKQTNGQNVMJOMCS-UHFFFAOYSA-N
XLogP1.99
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate (CID 118155984) is tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)C(F)C1.
What is the InChIKey of tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate?
The InChIKey is KQTNGQNVMJOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4O2/c1-13(2,3)20-12(19)17-5-4-11(10(14)8-17)18-7-9(15)6-16-18/h6-7,10-11H,4-5,8,15H2,1-3H3.
What are the key properties of tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate?
tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-aminopyrazol-1-yl)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 118155984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).