1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine

C18H26N4 — CID 170863336

IUPAC1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccc(-c3ccn(C)n3)cc2)CC1
InChIInChI=1S/C18H26N4/c1-20-12-14-22(15-13-20)10-3-4-16-5-7-17(8-6-16)18-9-11-21(2)19-18/h5-9,11H,3-4,10,12-15H2,1-2H3
InChIKeyQNNZNDUMWIVJAA-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.27
Rot. Bonds5

About 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine

1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine (PubChem CID 170863336) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine
PubChem CID170863336
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2ccc(-c3ccn(C)n3)cc2)CC1
InChIInChI=1S/C18H26N4/c1-20-12-14-22(15-13-20)10-3-4-16-5-7-17(8-6-16)18-9-11-21(2)19-18/h5-9,11H,3-4,10,12-15H2,1-2H3
InChIKeyQNNZNDUMWIVJAA-UHFFFAOYSA-N
XLogP2.27
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine (CID 170863336) is 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine is CN1CCN(CCCc2ccc(-c3ccn(C)n3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine?
The InChIKey is QNNZNDUMWIVJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-20-12-14-22(15-13-20)10-3-4-16-5-7-17(8-6-16)18-9-11-21(2)19-18/h5-9,11H,3-4,10,12-15H2,1-2H3.
What are the key properties of 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine?
1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine has a molecular weight of 298.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine is sourced from PubChem (CID 170863336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).