1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine

C17H24N4 — CID 71845676

IUPAC1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine
SMILESCCCN1CCN(Cn2cc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C17H24N4/c1-2-8-19-9-11-20(12-10-19)15-21-14-17(13-18-21)16-6-4-3-5-7-16/h3-7,13-14H,2,8-12,15H2,1H3
InChIKeyJGDBAUXKDODYDV-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.54
Rot. Bonds5

About 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine

1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine (PubChem CID 71845676) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine
PubChem CID71845676
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine
SMILESCCCN1CCN(Cn2cc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C17H24N4/c1-2-8-19-9-11-20(12-10-19)15-21-14-17(13-18-21)16-6-4-3-5-7-16/h3-7,13-14H,2,8-12,15H2,1H3
InChIKeyJGDBAUXKDODYDV-UHFFFAOYSA-N
XLogP2.54
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine?
The IUPAC name of 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine (CID 71845676) is 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine.
What is the SMILES notation for 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine?
The canonical SMILES for 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine is CCCN1CCN(Cn2cc(-c3ccccc3)cn2)CC1.
What is the InChIKey of 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine?
The InChIKey is JGDBAUXKDODYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-8-19-9-11-20(12-10-19)15-21-14-17(13-18-21)16-6-4-3-5-7-16/h3-7,13-14H,2,8-12,15H2,1H3.
What are the key properties of 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine?
1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine has a molecular weight of 284.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylpyrazol-1-yl)methyl]-4-propylpiperazine is sourced from PubChem (CID 71845676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).