[5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

C18H18N4O2 — CID 20906454

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N4O2/c23-18(16-13-15(19-20-16)17-7-4-12-24-17)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2,(H,19,20)
InChIKeyQMCWCCFXBMDBGZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.63
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 20906454) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID20906454
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N4O2/c23-18(16-13-15(19-20-16)17-7-4-12-24-17)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2,(H,19,20)
InChIKeyQMCWCCFXBMDBGZ-UHFFFAOYSA-N
XLogP2.63
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 20906454) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is QMCWCCFXBMDBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(16-13-15(19-20-16)17-7-4-12-24-17)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2,(H,19,20).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 20906454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).