phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C20H20N4O — CID 91904736

IUPACphenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C20H20N4O/c25-20(17-9-5-2-6-10-17)24-13-11-23(12-14-24)19-15-18(21-22-19)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,21,22)
InChIKeyYGCPCOWBQOGIFR-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.04
Rot. Bonds3

About phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 91904736) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID91904736
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Namephenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C20H20N4O/c25-20(17-9-5-2-6-10-17)24-13-11-23(12-14-24)19-15-18(21-22-19)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,21,22)
InChIKeyYGCPCOWBQOGIFR-UHFFFAOYSA-N
XLogP3.04
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 91904736) is phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(c2cc(-c3ccccc3)[nH]n2)CC1.
What is the InChIKey of phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is YGCPCOWBQOGIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(17-9-5-2-6-10-17)24-13-11-23(12-14-24)19-15-18(21-22-19)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,21,22).
What are the key properties of phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 332.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91904736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).