5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine

C16H22N4 — CID 79786453

IUPAC5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine
SMILESCn1ccc(N2CC(C)(C)NCC2c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-16(2)12-20(15-9-10-19(3)18-15)14(11-17-16)13-7-5-4-6-8-13/h4-10,14,17H,11-12H2,1-3H3
InChIKeySUIFJYBACUQSLA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.35
Rot. Bonds2

About 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine

5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine (PubChem CID 79786453) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine.

Molecular Properties

Compound Name5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine
PubChem CID79786453
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine
SMILESCn1ccc(N2CC(C)(C)NCC2c2ccccc2)n1
InChIInChI=1S/C16H22N4/c1-16(2)12-20(15-9-10-19(3)18-15)14(11-17-16)13-7-5-4-6-8-13/h4-10,14,17H,11-12H2,1-3H3
InChIKeySUIFJYBACUQSLA-UHFFFAOYSA-N
XLogP2.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5,5-dimethyl-1-(1-methylpyrazol-3-yl)piperazine
CID 79785793
5-methyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine
CID 79787047
1-(2-chlorophenyl)-5,5-dimethyl-2-phenylpiperazine
CID 64933933
1-(2-iodophenyl)-5,5-dimethyl-2-phenylpiperazine
CID 64935115
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
5-ethyl-1,5-dimethyl-2-phenylpiperazine
CID 64849289
ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate
CID 82246388
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64839744
1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64840282
9-(1-methylpyrazol-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79785950
5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840285

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine?
The IUPAC name of 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine (CID 79786453) is 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine.
What is the SMILES notation for 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine?
The canonical SMILES for 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine is Cn1ccc(N2CC(C)(C)NCC2c2ccccc2)n1.
What is the InChIKey of 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine?
The InChIKey is SUIFJYBACUQSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2)12-20(15-9-10-19(3)18-15)14(11-17-16)13-7-5-4-6-8-13/h4-10,14,17H,11-12H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine?
5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine has a molecular weight of 270.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(1-methylpyrazol-3-yl)-2-phenylpiperazine is sourced from PubChem (CID 79786453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).