tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate

C16H27FN4O2 — CID 164560307

IUPACtert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2nc(N)cc2C(C)(C)C)[C@H](F)C1
InChIInChI=1S/C16H27FN4O2/c1-15(2,3)12-7-13(18)19-21(12)11-9-20(8-10(11)17)14(22)23-16(4,5)6/h7,10-11H,8-9H2,1-6H3,(H2,18,19)/t10-,11?/m1/s1
InChIKeyPYDPSVOYCQJPSF-NFJWQWPMSA-N
MW326.42 g/mol
LogP2.89
Rot. Bonds1

About tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate

tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate (PubChem CID 164560307) has the molecular formula C16H27FN4O2 and a molecular weight of 326.42 g/mol. Its IUPAC name is tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate
PubChem CID164560307
Molecular FormulaC16H27FN4O2
Molecular Weight326.42 g/mol
Exact Mass326.21
IUPAC Nametert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2nc(N)cc2C(C)(C)C)[C@H](F)C1
InChIInChI=1S/C16H27FN4O2/c1-15(2,3)12-7-13(18)19-21(12)11-9-20(8-10(11)17)14(22)23-16(4,5)6/h7,10-11H,8-9H2,1-6H3,(H2,18,19)/t10-,11?/m1/s1
InChIKeyPYDPSVOYCQJPSF-NFJWQWPMSA-N
XLogP2.89
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl (3R,4R)-3-(3-fluoroazetidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
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tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate (CID 164560307) is tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(n2nc(N)cc2C(C)(C)C)[C@H](F)C1.
What is the InChIKey of tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate?
The InChIKey is PYDPSVOYCQJPSF-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H27FN4O2/c1-15(2,3)12-7-13(18)19-21(12)11-9-20(8-10(11)17)14(22)23-16(4,5)6/h7,10-11H,8-9H2,1-6H3,(H2,18,19)/t10-,11?/m1/s1.
What are the key properties of tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate?
tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3-(3-amino-5-tert-butylpyrazol-1-yl)-4-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 164560307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).