tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate

C20H28N4O3 — CID 10133880

IUPACtert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-12-10-23(11-13-24)14-15-26-17-6-4-16(5-7-17)18-8-9-21-22-18/h4-9H,10-15H2,1-3H3,(H,21,22)
InChIKeyCZUWCHHRTQFUAQ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.01
Rot. Bonds5

About tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate (PubChem CID 10133880) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
PubChem CID10133880
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nametert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-12-10-23(11-13-24)14-15-26-17-6-4-16(5-7-17)18-8-9-21-22-18/h4-9H,10-15H2,1-3H3,(H,21,22)
InChIKeyCZUWCHHRTQFUAQ-UHFFFAOYSA-N
XLogP3.01
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate (CID 10133880) is tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CCOc2ccc(-c3ccn[nH]3)cc2)CC1.
What is the InChIKey of tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate?
The InChIKey is CZUWCHHRTQFUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)24-12-10-23(11-13-24)14-15-26-17-6-4-16(5-7-17)18-8-9-21-22-18/h4-9H,10-15H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 10133880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).