tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H25N5O2 — CID 103398019

IUPACtert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(Cn1cccn1)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25N5O2/c1-12(10-20-8-5-6-17-20)18-13-11-19(9-7-16-13)14(21)22-15(2,3)4/h5-6,8,12H,7,9-11H2,1-4H3,(H,16,18)
InChIKeyWGVNOLQSTPDUFM-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.51
Rot. Bonds3

About tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398019) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398019
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Nametert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(Cn1cccn1)NC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25N5O2/c1-12(10-20-8-5-6-17-20)18-13-11-19(9-7-16-13)14(21)22-15(2,3)4/h5-6,8,12H,7,9-11H2,1-4H3,(H,16,18)
InChIKeyWGVNOLQSTPDUFM-UHFFFAOYSA-N
XLogP1.51
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 6-(1-ethylsulfanylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398393
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846
tert-butyl 6-(3-methylpentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398022
tert-butyl 6-(pent-4-en-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398353
tert-butyl 6-(1-methoxybutan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398188
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398140
tert-butyl 6-[(1-ethylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397929
tert-butyl 6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106388829
tert-butyl 6-(5-methylhexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398284
tert-butyl 6-[(1-propan-2-ylpyrazol-4-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398132
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347
tert-butyl 6-[(3-methyl-2-pyridinyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398152

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398019) is tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(Cn1cccn1)NC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is WGVNOLQSTPDUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12(10-20-8-5-6-17-20)18-13-11-19(9-7-16-13)14(21)22-15(2,3)4/h5-6,8,12H,7,9-11H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 307.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(1-pyrazol-1-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).