1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine

C19H20N4O — CID 23656967

IUPAC1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine
SMILESc1ccc(Oc2ccc(-c3cc(N4CCNCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H20N4O/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(22-21-18)23-12-10-20-11-13-23/h1-9,14,20H,10-13H2,(H,21,22)
InChIKeyJBAGAKSCBHZIIC-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.28
Rot. Bonds4

About 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine

1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine (PubChem CID 23656967) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine
PubChem CID23656967
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine
SMILESc1ccc(Oc2ccc(-c3cc(N4CCNCC4)n[nH]3)cc2)cc1
InChIInChI=1S/C19H20N4O/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(22-21-18)23-12-10-20-11-13-23/h1-9,14,20H,10-13H2,(H,21,22)
InChIKeyJBAGAKSCBHZIIC-UHFFFAOYSA-N
XLogP3.28
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine?
The IUPAC name of 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine (CID 23656967) is 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine is c1ccc(Oc2ccc(-c3cc(N4CCNCC4)n[nH]3)cc2)cc1.
What is the InChIKey of 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine?
The InChIKey is JBAGAKSCBHZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-4-16(5-3-1)24-17-8-6-15(7-9-17)18-14-19(22-21-18)23-12-10-20-11-13-23/h1-9,14,20H,10-13H2,(H,21,22).
What are the key properties of 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine?
1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine has a molecular weight of 320.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]piperazine is sourced from PubChem (CID 23656967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).