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

C15H21N5O2 — CID 75204198

IUPACtert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3nccc23)C1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)18-11-5-8-19(10-11)13-12-4-6-17-20(12)9-7-16-13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyXZFRLZWFQMCUAP-NSHDSACASA-N
MW303.37 g/mol
LogP1.83
Rot. Bonds2

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

tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate (PubChem CID 75204198) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate
PubChem CID75204198
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nametert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3nccc23)C1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)18-11-5-8-19(10-11)13-12-4-6-17-20(12)9-7-16-13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyXZFRLZWFQMCUAP-NSHDSACASA-N
XLogP1.83
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate (CID 75204198) is tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(c2nccn3nccc23)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate?
The InChIKey is XZFRLZWFQMCUAP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)18-11-5-8-19(10-11)13-12-4-6-17-20(12)9-7-16-13/h4,6-7,9,11H,5,8,10H2,1-3H3,(H,18,21)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate has a molecular weight of 303.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 75204198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).