[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone

C21H22N4O — CID 118531126

IUPAC[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1cccn1
InChIInChI=1S/C21H22N4O/c26-21(25-12-4-11-22-25)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)19-5-2-1-3-6-19/h1-12H,13-17H2
InChIKeyVBTZHMZIPNJLLH-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.34
Rot. Bonds3

About [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone

[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (PubChem CID 118531126) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
PubChem CID118531126
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1cccn1
InChIInChI=1S/C21H22N4O/c26-21(25-12-4-11-22-25)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)19-5-2-1-3-6-19/h1-12H,13-17H2
InChIKeyVBTZHMZIPNJLLH-UHFFFAOYSA-N
XLogP3.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (CID 118531126) is [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is O=C(N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)n1cccn1.
What is the InChIKey of [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The InChIKey is VBTZHMZIPNJLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(25-12-4-11-22-25)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)19-5-2-1-3-6-19/h1-12H,13-17H2.
What are the key properties of [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
[4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 118531126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).