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

C20H20N4O — CID 97150781

IUPAC[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCN[C@H](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)/t19-/m0/s1
InChIKeyDTEMULBNYQOGGX-IBGZPJMESA-N
MW332.41 g/mol
LogP2.86
Rot. Bonds3

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

[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 97150781) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID97150781
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name[(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ccn[nH]2)cc1)N1CCN[C@H](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)/t19-/m0/s1
InChIKeyDTEMULBNYQOGGX-IBGZPJMESA-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 [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 97150781) is [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCN[C@H](c2ccccc2)C1.
What is the InChIKey of [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is DTEMULBNYQOGGX-IBGZPJMESA-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)/t19-/m0/s1.
What are the key properties of [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
[(3R)-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 [(3R)-3-phenylpiperazin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 97150781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).