tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate

C12H20N4O2 — CID 155896845

IUPACtert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)C(n2cccn2)C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-7-9(13)10(8-15)16-6-4-5-14-16/h4-6,9-10H,7-8,13H2,1-3H3
InChIKeyCKRVWYJQJKYDHU-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.00
Rot. Bonds1

About tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate

tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate (PubChem CID 155896845) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate
PubChem CID155896845
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nametert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(N)C(n2cccn2)C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-7-9(13)10(8-15)16-6-4-5-14-16/h4-6,9-10H,7-8,13H2,1-3H3
InChIKeyCKRVWYJQJKYDHU-UHFFFAOYSA-N
XLogP1.00
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-pyrazol-1-ylpyrrolidine-1-carboxylate
CID 96536772
tert-butyl 3-(pyrazol-1-ylmethyl)azetidine-1-carboxylate
CID 67979283
acetic acid;tert-butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate
CID 138393610
ditert-butyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 163359559
tert-butyl (3S,4R)-3-hydroxy-4-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 124874421
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl (1R,6S)-5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 163202473
tert-butyl (3S,4R)-3-amino-4-(methoxymethyl)pyrrolidine-1-carboxylate
CID 155675762
tert-butyl 3-amino-4-(methylsulfanylmethyl)pyrrolidine-1-carboxylate
CID 57257295
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl 3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate
CID 126673511

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate (CID 155896845) is tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(N)C(n2cccn2)C1.
What is the InChIKey of tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate?
The InChIKey is CKRVWYJQJKYDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)15-7-9(13)10(8-15)16-6-4-5-14-16/h4-6,9-10H,7-8,13H2,1-3H3.
What are the key properties of tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate?
tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-pyrazol-1-ylpyrrolidine-1-carboxylate is sourced from PubChem (CID 155896845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).