tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C13H21N5O3 — CID 58440878

IUPACtert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCNC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H21N5O3/c1-13(2,3)21-12(20)17-5-6-18-9(8-17)7-10(16-18)15-11(19)14-4/h7H,5-6,8H2,1-4H3,(H2,14,15,16,19)
InChIKeyFNQHHRBXQBWARI-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.39
Rot. Bonds1

About tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 58440878) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID58440878
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Nametert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCNC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H21N5O3/c1-13(2,3)21-12(20)17-5-6-18-9(8-17)7-10(16-18)15-11(19)14-4/h7H,5-6,8H2,1-4H3,(H2,14,15,16,19)
InChIKeyFNQHHRBXQBWARI-UHFFFAOYSA-N
XLogP1.39
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 58440878) is tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CNC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is FNQHHRBXQBWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-13(2,3)21-12(20)17-5-6-18-9(8-17)7-10(16-18)15-11(19)14-4/h7H,5-6,8H2,1-4H3,(H2,14,15,16,19).
What are the key properties of tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylcarbamoylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 58440878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).