2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine

C17H24N4 — CID 64876319

IUPAC2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
SMILESCn1cc(CN2CC(c3ccccc3)NCC2(C)C)cn1
InChIInChI=1S/C17H24N4/c1-17(2)13-18-16(15-7-5-4-6-8-15)12-21(17)11-14-9-19-20(3)10-14/h4-10,16,18H,11-13H2,1-3H3
InChIKeyJUOJHAIPNXDHIY-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.35
Rot. Bonds3

About 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine

2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine (PubChem CID 64876319) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
PubChem CID64876319
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
SMILESCn1cc(CN2CC(c3ccccc3)NCC2(C)C)cn1
InChIInChI=1S/C17H24N4/c1-17(2)13-18-16(15-7-5-4-6-8-15)12-21(17)11-14-9-19-20(3)10-14/h4-10,16,18H,11-13H2,1-3H3
InChIKeyJUOJHAIPNXDHIY-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine
CID 64877661
2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64877853
2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine
CID 115943657
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpiperazine
CID 103016180
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112
5,5-diethyl-2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64861803
6-benzyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64877476
2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016327
1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine
CID 64878048
2,2-dimethyl-5-phenyl-1-propan-2-ylpiperazine
CID 64877470
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine?
The IUPAC name of 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine (CID 64876319) is 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine is Cn1cc(CN2CC(c3ccccc3)NCC2(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine?
The InChIKey is JUOJHAIPNXDHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-17(2)13-18-16(15-7-5-4-6-8-15)12-21(17)11-14-9-19-20(3)10-14/h4-10,16,18H,11-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine?
2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine has a molecular weight of 284.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine is sourced from PubChem (CID 64876319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).