1-(5-phenyl-1H-pyrazol-4-yl)piperazine

C13H16N4 — CID 59511191

IUPAC1-(5-phenyl-1H-pyrazol-4-yl)piperazine
SMILESc1ccc(-c2[nH]ncc2N2CCNCC2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-12(10-15-16-13)17-8-6-14-7-9-17/h1-5,10,14H,6-9H2,(H,15,16)
InChIKeyRUQQBOVFRBIOBE-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.49
Rot. Bonds2

About 1-(5-phenyl-1H-pyrazol-4-yl)piperazine

1-(5-phenyl-1H-pyrazol-4-yl)piperazine (PubChem CID 59511191) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(5-phenyl-1H-pyrazol-4-yl)piperazine.

Molecular Properties

Compound Name1-(5-phenyl-1H-pyrazol-4-yl)piperazine
PubChem CID59511191
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(5-phenyl-1H-pyrazol-4-yl)piperazine
SMILESc1ccc(-c2[nH]ncc2N2CCNCC2)cc1
InChIInChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-12(10-15-16-13)17-8-6-14-7-9-17/h1-5,10,14H,6-9H2,(H,15,16)
InChIKeyRUQQBOVFRBIOBE-UHFFFAOYSA-N
XLogP1.49
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-pyrazol-4-yl)piperazine?
The IUPAC name of 1-(5-phenyl-1H-pyrazol-4-yl)piperazine (CID 59511191) is 1-(5-phenyl-1H-pyrazol-4-yl)piperazine.
What is the SMILES notation for 1-(5-phenyl-1H-pyrazol-4-yl)piperazine?
The canonical SMILES for 1-(5-phenyl-1H-pyrazol-4-yl)piperazine is c1ccc(-c2[nH]ncc2N2CCNCC2)cc1.
What is the InChIKey of 1-(5-phenyl-1H-pyrazol-4-yl)piperazine?
The InChIKey is RUQQBOVFRBIOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-11(5-3-1)13-12(10-15-16-13)17-8-6-14-7-9-17/h1-5,10,14H,6-9H2,(H,15,16).
What are the key properties of 1-(5-phenyl-1H-pyrazol-4-yl)piperazine?
1-(5-phenyl-1H-pyrazol-4-yl)piperazine has a molecular weight of 228.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-pyrazol-4-yl)piperazine is sourced from PubChem (CID 59511191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).