tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate

C19H32N6O3 — CID 135262347

IUPACtert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate
SMILESCc1c(N2CC(C)(C)NC2=O)c(N2CCN(C(=O)OC(C)(C)C)CC2)nn1C
InChIInChI=1S/C19H32N6O3/c1-13-14(25-12-19(5,6)20-16(25)26)15(21-22(13)7)23-8-10-24(11-9-23)17(27)28-18(2,3)4/h8-12H2,1-7H3,(H,20,26)
InChIKeySXRJPJQTTYJROS-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.09
Rot. Bonds2

About tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate

tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate (PubChem CID 135262347) has the molecular formula C19H32N6O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate
PubChem CID135262347
Molecular FormulaC19H32N6O3
Molecular Weight392.50 g/mol
Exact Mass392.25
IUPAC Nametert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate
SMILESCc1c(N2CC(C)(C)NC2=O)c(N2CCN(C(=O)OC(C)(C)C)CC2)nn1C
InChIInChI=1S/C19H32N6O3/c1-13-14(25-12-19(5,6)20-16(25)26)15(21-22(13)7)23-8-10-24(11-9-23)17(27)28-18(2,3)4/h8-12H2,1-7H3,(H,20,26)
InChIKeySXRJPJQTTYJROS-UHFFFAOYSA-N
XLogP2.09
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate (CID 135262347) is tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate is Cc1c(N2CC(C)(C)NC2=O)c(N2CCN(C(=O)OC(C)(C)C)CC2)nn1C.
What is the InChIKey of tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate?
The InChIKey is SXRJPJQTTYJROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O3/c1-13-14(25-12-19(5,6)20-16(25)26)15(21-22(13)7)23-8-10-24(11-9-23)17(27)28-18(2,3)4/h8-12H2,1-7H3,(H,20,26).
What are the key properties of tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate?
tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(4,4-dimethyl-2-oxoimidazolidin-1-yl)-1,5-dimethylpyrazol-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 135262347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).