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

C20H20N4O — CID 72928198

IUPAC(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C20H20N4O/c25-20(17-8-6-16(7-9-17)18-10-11-22-23-18)24-13-12-21-19(14-24)15-4-2-1-3-5-15/h1-11,19,21H,12-14H2,(H,22,23)
InChIKeyDTEMULBNYQOGGX-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.86
Rot. Bonds3

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

(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 72928198) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID72928198
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C20H20N4O/c25-20(17-8-6-16(7-9-17)18-10-11-22-23-18)24-13-12-21-19(14-24)15-4-2-1-3-5-15/h1-11,19,21H,12-14H2,(H,22,23)
InChIKeyDTEMULBNYQOGGX-UHFFFAOYSA-N
XLogP2.86
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 72928198) is (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCNC(c2ccccc2)C1.
What is the InChIKey of (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is DTEMULBNYQOGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(17-8-6-16(7-9-17)18-10-11-22-23-18)24-13-12-21-19(14-24)15-4-2-1-3-5-15/h1-11,19,21H,12-14H2,(H,22,23).
What are the key properties of (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
(3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 332.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 72928198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).