tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane

C20H30N4O2 — CID 156743783

IUPACtert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane
SMILESCC.Cc1cccc(-c2nn3c(c2C)CN(C(=O)OC(C)(C)C)CC3)n1
InChIInChI=1S/C18H24N4O2.C2H6/c1-12-7-6-8-14(19-12)16-13(2)15-11-21(9-10-22(15)20-16)17(23)24-18(3,4)5;1-2/h6-8H,9-11H2,1-5H3;1-2H3
InChIKeyORLXIFGOWFVRJE-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.34
Rot. Bonds1

About tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane

tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane (PubChem CID 156743783) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane
PubChem CID156743783
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Nametert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane
SMILESCC.Cc1cccc(-c2nn3c(c2C)CN(C(=O)OC(C)(C)C)CC3)n1
InChIInChI=1S/C18H24N4O2.C2H6/c1-12-7-6-8-14(19-12)16-13(2)15-11-21(9-10-22(15)20-16)17(23)24-18(3,4)5;1-2/h6-8H,9-11H2,1-5H3;1-2H3
InChIKeyORLXIFGOWFVRJE-UHFFFAOYSA-N
XLogP4.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-bromo-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 170327794
tert-butyl 2-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 178130470
tert-butyl 3-carbamoyl-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118085424
tert-butyl 3-bromo-2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl 2-(3-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 175952923
tert-butyl 2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 171367748
tert-butyl 2-[4-[(1R)-1-(5-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 178130380
[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]boronic acid
CID 163323414
tert-butyl 3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 169193876
tert-butyl 2-(4-ethoxyphenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 170328258
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 2-iodo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate
CID 130115016
tert-butyl 3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 170327843

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane?
The IUPAC name of tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane (CID 156743783) is tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane is CC.Cc1cccc(-c2nn3c(c2C)CN(C(=O)OC(C)(C)C)CC3)n1.
What is the InChIKey of tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane?
The InChIKey is ORLXIFGOWFVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.C2H6/c1-12-7-6-8-14(19-12)16-13(2)15-11-21(9-10-22(15)20-16)17(23)24-18(3,4)5;1-2/h6-8H,9-11H2,1-5H3;1-2H3.
What are the key properties of tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane?
tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane has a molecular weight of 358.49 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-2-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;ethane is sourced from PubChem (CID 156743783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).