tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate

C18H26N6O2 — CID 139409469

IUPACtert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate
SMILESCc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N)cn1
InChIInChI=1S/C18H26N6O2/c1-12-14(15-9-21-16(19)10-20-15)11-24(22-12)13-5-7-23(8-6-13)17(25)26-18(2,3)4/h9-11,13H,5-8H2,1-4H3,(H2,19,21)
InChIKeyMWTMTAIVSHJXMP-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.80
Rot. Bonds2

About tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 139409469) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate
PubChem CID139409469
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Nametert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate
SMILESCc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N)cn1
InChIInChI=1S/C18H26N6O2/c1-12-14(15-9-21-16(19)10-20-15)11-24(22-12)13-5-7-23(8-6-13)17(25)26-18(2,3)4/h9-11,13H,5-8H2,1-4H3,(H2,19,21)
InChIKeyMWTMTAIVSHJXMP-UHFFFAOYSA-N
XLogP2.80
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate (CID 139409469) is tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate is Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1cnc(N)cn1.
What is the InChIKey of tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is MWTMTAIVSHJXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12-14(15-9-21-16(19)10-20-15)11-24(22-12)13-5-7-23(8-6-13)17(25)26-18(2,3)4/h9-11,13H,5-8H2,1-4H3,(H2,19,21).
What are the key properties of tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 358.45 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 139409469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).