tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate

C14H24N4O2 — CID 52903976

IUPACtert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-10-7-16(8-11-17)9-12-18-6-4-5-15-18/h4-6H,7-12H2,1-3H3
InChIKeyJVJNOKSIPXLAFD-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.44
Rot. Bonds3

About tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate

tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate (PubChem CID 52903976) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate
PubChem CID52903976
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nametert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-10-7-16(8-11-17)9-12-18-6-4-5-15-18/h4-6H,7-12H2,1-3H3
InChIKeyJVJNOKSIPXLAFD-UHFFFAOYSA-N
XLogP1.44
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate (CID 52903976) is tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate?
The InChIKey is JVJNOKSIPXLAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)17-10-7-16(8-11-17)9-12-18-6-4-5-15-18/h4-6H,7-12H2,1-3H3.
What are the key properties of tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate?
tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-pyrazol-1-ylethyl)piperazine-1-carboxylate is sourced from PubChem (CID 52903976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).