tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate

C12H16N4O2 — CID 177333870

IUPACtert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cc2cnccn2n1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)14-7-9-6-10-8-13-4-5-16(10)15-9/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeyDFGBGPHERAKFFA-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.75
Rot. Bonds2

About tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate

tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate (PubChem CID 177333870) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
PubChem CID177333870
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nametert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1cc2cnccn2n1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)14-7-9-6-10-8-13-4-5-16(10)15-9/h4-6,8H,7H2,1-3H3,(H,14,17)
InChIKeyDFGBGPHERAKFFA-UHFFFAOYSA-N
XLogP1.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[(6-chloropyrazin-2-yl)methyl]carbamate
CID 77231610
tert-butyl N-[[5-(aminomethyl)-1,2-oxazol-3-yl]methyl]carbamate
CID 139228466
tert-butyl N-[(3-tert-butylimidazol-4-yl)methyl]carbamate
CID 114703682
tert-butyl N-[[4-(3-imidazo[1,2-a]pyrazin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methyl]carbamate
CID 146088919
tert-butyl N-[(2,6-dichloropyrimidin-4-yl)methyl]carbamate
CID 170897744
tert-butyl N-[[5-(triazol-2-yl)-2-pyridinyl]methyl]carbamate
CID 166103677
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
tert-butyl N-[[3-(1H-pyrazol-4-yl)imidazol-4-yl]methyl]carbamate
CID 114704125
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate (CID 177333870) is tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1cc2cnccn2n1.
What is the InChIKey of tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate?
The InChIKey is DFGBGPHERAKFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)14-7-9-6-10-8-13-4-5-16(10)15-9/h4-6,8H,7H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate?
tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate has a molecular weight of 248.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(pyrazolo[1,5-a]pyrazin-2-ylmethyl)carbamate is sourced from PubChem (CID 177333870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).