1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine

C17H24N4O — CID 53193261

IUPAC1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cc(C)[nH]n2)CC1
InChIInChI=1S/C17H24N4O/c1-3-22-17-7-5-4-6-16(17)21-10-8-20(9-11-21)13-15-12-14(2)18-19-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,18,19)
InChIKeyUZDHVVVFGLSRJP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine

1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine (PubChem CID 53193261) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
PubChem CID53193261
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine
SMILESCCOc1ccccc1N1CCN(Cc2cc(C)[nH]n2)CC1
InChIInChI=1S/C17H24N4O/c1-3-22-17-7-5-4-6-16(17)21-10-8-20(9-11-21)13-15-12-14(2)18-19-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,18,19)
InChIKeyUZDHVVVFGLSRJP-UHFFFAOYSA-N
XLogP2.44
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine (CID 53193261) is 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine is CCOc1ccccc1N1CCN(Cc2cc(C)[nH]n2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
The InChIKey is UZDHVVVFGLSRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-22-17-7-5-4-6-16(17)21-10-8-20(9-11-21)13-15-12-14(2)18-19-15/h4-7,12H,3,8-11,13H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine?
1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine has a molecular weight of 300.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazine is sourced from PubChem (CID 53193261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).