tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid

C15H21N5O2 — CID 121349538

IUPACtert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H]1CCN(c2nccn3nccc23)C1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)20(14(21)22)11-5-8-18(10-11)13-12-4-6-17-19(12)9-7-16-13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,21,22)/t11-/m0/s1
InChIKeyIDGGJTFVQAJSCK-NSHDSACASA-N
MW303.37 g/mol
LogP2.09
Rot. Bonds2

About tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid

tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid (PubChem CID 121349538) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid
PubChem CID121349538
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nametert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H]1CCN(c2nccn3nccc23)C1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)20(14(21)22)11-5-8-18(10-11)13-12-4-6-17-19(12)9-7-16-13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,21,22)/t11-/m0/s1
InChIKeyIDGGJTFVQAJSCK-NSHDSACASA-N
XLogP2.09
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid?
The IUPAC name of tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid (CID 121349538) is tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@H]1CCN(c2nccn3nccc23)C1.
What is the InChIKey of tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid?
The InChIKey is IDGGJTFVQAJSCK-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)20(14(21)22)11-5-8-18(10-11)13-12-4-6-17-19(12)9-7-16-13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,21,22)/t11-/m0/s1.
What are the key properties of tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid?
tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid has a molecular weight of 303.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 121349538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).