1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine

C14H18N4 — CID 39830484

IUPAC1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine
SMILESc1cc(-c2cn[nH]c2)ccc1CN1CCNCC1
InChIInChI=1S/C14H18N4/c1-3-13(14-9-16-17-10-14)4-2-12(1)11-18-7-5-15-6-8-18/h1-4,9-10,15H,5-8,11H2,(H,16,17)
InChIKeyAEQPCAVTWUMACH-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.48
Rot. Bonds3

About 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine

1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine (PubChem CID 39830484) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine
PubChem CID39830484
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine
SMILESc1cc(-c2cn[nH]c2)ccc1CN1CCNCC1
InChIInChI=1S/C14H18N4/c1-3-13(14-9-16-17-10-14)4-2-12(1)11-18-7-5-15-6-8-18/h1-4,9-10,15H,5-8,11H2,(H,16,17)
InChIKeyAEQPCAVTWUMACH-UHFFFAOYSA-N
XLogP1.48
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine (CID 39830484) is 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine is c1cc(-c2cn[nH]c2)ccc1CN1CCNCC1.
What is the InChIKey of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine?
The InChIKey is AEQPCAVTWUMACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-13(14-9-16-17-10-14)4-2-12(1)11-18-7-5-15-6-8-18/h1-4,9-10,15H,5-8,11H2,(H,16,17).
What are the key properties of 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine?
1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine has a molecular weight of 242.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 39830484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).