1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine

C14H18N4 — CID 117209962

IUPAC1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
SMILESCc1ccc(-c2[nH]ncc2N2CCNCC2)cc1
InChIInChI=1S/C14H18N4/c1-11-2-4-12(5-3-11)14-13(10-16-17-14)18-8-6-15-7-9-18/h2-5,10,15H,6-9H2,1H3,(H,16,17)
InChIKeyDRCWJTXHIZFXIO-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.79
Rot. Bonds2

About 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine

1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine (PubChem CID 117209962) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
PubChem CID117209962
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
SMILESCc1ccc(-c2[nH]ncc2N2CCNCC2)cc1
InChIInChI=1S/C14H18N4/c1-11-2-4-12(5-3-11)14-13(10-16-17-14)18-8-6-15-7-9-18/h2-5,10,15H,6-9H2,1H3,(H,16,17)
InChIKeyDRCWJTXHIZFXIO-UHFFFAOYSA-N
XLogP1.79
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine?
The IUPAC name of 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine (CID 117209962) is 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine?
The canonical SMILES for 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine is Cc1ccc(-c2[nH]ncc2N2CCNCC2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine?
The InChIKey is DRCWJTXHIZFXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-2-4-12(5-3-11)14-13(10-16-17-14)18-8-6-15-7-9-18/h2-5,10,15H,6-9H2,1H3,(H,16,17).
What are the key properties of 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine?
1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine has a molecular weight of 242.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine is sourced from PubChem (CID 117209962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).