1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine

C17H24N4 — CID 3084338

IUPAC1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine
SMILESCc1cccc(N2CCN(CCc3cc(C)[nH]n3)CC2)c1
InChIInChI=1S/C17H24N4/c1-14-4-3-5-17(12-14)21-10-8-20(9-11-21)7-6-16-13-15(2)18-19-16/h3-5,12-13H,6-11H2,1-2H3,(H,18,19)
InChIKeyIYBFBADVQPQHLQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine

1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine (PubChem CID 3084338) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine
PubChem CID3084338
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine
SMILESCc1cccc(N2CCN(CCc3cc(C)[nH]n3)CC2)c1
InChIInChI=1S/C17H24N4/c1-14-4-3-5-17(12-14)21-10-8-20(9-11-21)7-6-16-13-15(2)18-19-16/h3-5,12-13H,6-11H2,1-2H3,(H,18,19)
InChIKeyIYBFBADVQPQHLQ-UHFFFAOYSA-N
XLogP2.39
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine 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 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine (CID 3084338) is 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine is Cc1cccc(N2CCN(CCc3cc(C)[nH]n3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine?
The InChIKey is IYBFBADVQPQHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14-4-3-5-17(12-14)21-10-8-20(9-11-21)7-6-16-13-15(2)18-19-16/h3-5,12-13H,6-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine?
1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 3084338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).