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

C20H22N4 — CID 127048915

IUPAC1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)CC1
InChIInChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)18-9-7-17(8-10-18)20-15-19(21-22-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,22)
InChIKeyAAIHNWDRLJNYHV-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.50
Rot. Bonds3

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

1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine (PubChem CID 127048915) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine
PubChem CID127048915
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)CC1
InChIInChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)18-9-7-17(8-10-18)20-15-19(21-22-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,22)
InChIKeyAAIHNWDRLJNYHV-UHFFFAOYSA-N
XLogP3.50
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine (CID 127048915) is 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine is CN1CCN(c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine?
The InChIKey is AAIHNWDRLJNYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)18-9-7-17(8-10-18)20-15-19(21-22-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,22).
What are the key properties of 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine?
1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine has a molecular weight of 318.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]piperazine is sourced from PubChem (CID 127048915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).