1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine

C17H24N4 — CID 50962406

IUPAC1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
SMILESCC1CN(Cc2ccccc2Cn2cccn2)CCN1C
InChIInChI=1S/C17H24N4/c1-15-12-20(11-10-19(15)2)13-16-6-3-4-7-17(16)14-21-9-5-8-18-21/h3-9,15H,10-14H2,1-2H3
InChIKeyLKTUATWWUTVRJF-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.07
Rot. Bonds4

About 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine

1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine (PubChem CID 50962406) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
PubChem CID50962406
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
SMILESCC1CN(Cc2ccccc2Cn2cccn2)CCN1C
InChIInChI=1S/C17H24N4/c1-15-12-20(11-10-19(15)2)13-16-6-3-4-7-17(16)14-21-9-5-8-18-21/h3-9,15H,10-14H2,1-2H3
InChIKeyLKTUATWWUTVRJF-UHFFFAOYSA-N
XLogP2.07
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The IUPAC name of 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine (CID 50962406) is 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine is CC1CN(Cc2ccccc2Cn2cccn2)CCN1C.
What is the InChIKey of 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
The InChIKey is LKTUATWWUTVRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-15-12-20(11-10-19(15)2)13-16-6-3-4-7-17(16)14-21-9-5-8-18-21/h3-9,15H,10-14H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine?
1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 50962406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).