1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine

C17H24N4 — CID 107464911

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine
SMILESCCc1nn(C)cc1N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C17H24N4/c1-4-15-16(12-20(3)19-15)21-11-10-18-17(2,13-21)14-8-6-5-7-9-14/h5-9,12,18H,4,10-11,13H2,1-3H3
InChIKeyLVEBMRUNPUDVTN-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.31
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine

1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine (PubChem CID 107464911) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine
PubChem CID107464911
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine
SMILESCCc1nn(C)cc1N1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C17H24N4/c1-4-15-16(12-20(3)19-15)21-11-10-18-17(2,13-21)14-8-6-5-7-9-14/h5-9,12,18H,4,10-11,13H2,1-3H3
InChIKeyLVEBMRUNPUDVTN-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine (CID 107464911) is 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine is CCc1nn(C)cc1N1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine?
The InChIKey is LVEBMRUNPUDVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-15-16(12-20(3)19-15)21-11-10-18-17(2,13-21)14-8-6-5-7-9-14/h5-9,12,18H,4,10-11,13H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine?
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine has a molecular weight of 284.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 107464911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).