tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate

C14H22F2N4O2 — CID 175181366

IUPACtert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCCC1n1cc(N)c(C(F)F)n1
InChIInChI=1S/C14H22F2N4O2/c1-14(2,3)22-13(21)8-6-18-5-4-10(8)20-7-9(17)11(19-20)12(15)16/h7-8,10,12,18H,4-6,17H2,1-3H3
InChIKeyBWJDYJLRZAUKNL-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.90
Rot. Bonds3

About tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate

tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate (PubChem CID 175181366) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate
PubChem CID175181366
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC Nametert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C1CNCCC1n1cc(N)c(C(F)F)n1
InChIInChI=1S/C14H22F2N4O2/c1-14(2,3)22-13(21)8-6-18-5-4-10(8)20-7-9(17)11(19-20)12(15)16/h7-8,10,12,18H,4-6,17H2,1-3H3
InChIKeyBWJDYJLRZAUKNL-UHFFFAOYSA-N
XLogP1.90
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate (CID 175181366) is tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate is CC(C)(C)OC(=O)C1CNCCC1n1cc(N)c(C(F)F)n1.
What is the InChIKey of tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate?
The InChIKey is BWJDYJLRZAUKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-14(2,3)22-13(21)8-6-18-5-4-10(8)20-7-9(17)11(19-20)12(15)16/h7-8,10,12,18H,4-6,17H2,1-3H3.
What are the key properties of tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate?
tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate has a molecular weight of 316.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-3-carboxylate is sourced from PubChem (CID 175181366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).