2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine

C17H24N4 — CID 81474419

IUPAC2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
SMILESCC(c1cnn(-c2ccccc2)c1)N1CCNCC1(C)C
InChIInChI=1S/C17H24N4/c1-14(20-10-9-18-13-17(20,2)3)15-11-19-21(12-15)16-7-5-4-6-8-16/h4-8,11-12,14,18H,9-10,13H2,1-3H3
InChIKeyOHPXCIAMOKVVQH-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.62
Rot. Bonds3

About 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine

2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine (PubChem CID 81474419) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
PubChem CID81474419
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
SMILESCC(c1cnn(-c2ccccc2)c1)N1CCNCC1(C)C
InChIInChI=1S/C17H24N4/c1-14(20-10-9-18-13-17(20,2)3)15-11-19-21(12-15)16-7-5-4-6-8-16/h4-8,11-12,14,18H,9-10,13H2,1-3H3
InChIKeyOHPXCIAMOKVVQH-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine?
The IUPAC name of 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine (CID 81474419) is 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine.
What is the SMILES notation for 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine?
The canonical SMILES for 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine is CC(c1cnn(-c2ccccc2)c1)N1CCNCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine?
The InChIKey is OHPXCIAMOKVVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-14(20-10-9-18-13-17(20,2)3)15-11-19-21(12-15)16-7-5-4-6-8-16/h4-8,11-12,14,18H,9-10,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine?
2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine has a molecular weight of 284.41 g/mol, XLogP of 2.62, 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-(1-phenylpyrazol-4-yl)ethyl]piperazine is sourced from PubChem (CID 81474419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).