tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

C19H33N5O3 — CID 86845261

IUPACtert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C19H33N5O3/c1-14-12-15(24(21-14)18(2,3)4)20-16(25)13-22-8-10-23(11-9-22)17(26)27-19(5,6)7/h12H,8-11,13H2,1-7H3,(H,20,25)
InChIKeyAHCYWDKDTRKPEO-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.44
Rot. Bonds3

About tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 86845261) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID86845261
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC Nametert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C19H33N5O3/c1-14-12-15(24(21-14)18(2,3)4)20-16(25)13-22-8-10-23(11-9-22)17(26)27-19(5,6)7/h12H,8-11,13H2,1-7H3,(H,20,25)
InChIKeyAHCYWDKDTRKPEO-UHFFFAOYSA-N
XLogP2.44
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 86845261) is tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is Cc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)n(C(C)(C)C)n1.
What is the InChIKey of tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is AHCYWDKDTRKPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-14-12-15(24(21-14)18(2,3)4)20-16(25)13-22-8-10-23(11-9-22)17(26)27-19(5,6)7/h12H,8-11,13H2,1-7H3,(H,20,25).
What are the key properties of tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 379.51 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(2-tert-butyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 86845261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).