3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine

C17H24N4 — CID 75509539

IUPAC3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine
SMILESCC1CN(Cc2cccc(-c3cnn(C)c3)c2)CC(C)N1
InChIInChI=1S/C17H24N4/c1-13-9-21(10-14(2)19-13)11-15-5-4-6-16(7-15)17-8-18-20(3)12-17/h4-8,12-14,19H,9-11H2,1-3H3
InChIKeySYPNVIRBHPIFCW-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.27
Rot. Bonds3

About 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine

3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine (PubChem CID 75509539) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine
PubChem CID75509539
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine
SMILESCC1CN(Cc2cccc(-c3cnn(C)c3)c2)CC(C)N1
InChIInChI=1S/C17H24N4/c1-13-9-21(10-14(2)19-13)11-15-5-4-6-16(7-15)17-8-18-20(3)12-17/h4-8,12-14,19H,9-11H2,1-3H3
InChIKeySYPNVIRBHPIFCW-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine?
The IUPAC name of 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine (CID 75509539) is 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine.
What is the SMILES notation for 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine?
The canonical SMILES for 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine is CC1CN(Cc2cccc(-c3cnn(C)c3)c2)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine?
The InChIKey is SYPNVIRBHPIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-9-21(10-14(2)19-13)11-15-5-4-6-16(7-15)17-8-18-20(3)12-17/h4-8,12-14,19H,9-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine?
3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine is sourced from PubChem (CID 75509539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).