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

C18H17FN4O2 — CID 20906463

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-4-1-2-5-16(13)22-7-9-23(10-8-22)18(24)15-12-14(20-21-15)17-6-3-11-25-17/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyIESWSKQVSWYXCR-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.77
Rot. Bonds3

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

[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 20906463) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID20906463
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H17FN4O2/c19-13-4-1-2-5-16(13)22-7-9-23(10-8-22)18(24)15-12-14(20-21-15)17-6-3-11-25-17/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyIESWSKQVSWYXCR-UHFFFAOYSA-N
XLogP2.77
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 20906463) is [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is IESWSKQVSWYXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-4-1-2-5-16(13)22-7-9-23(10-8-22)18(24)15-12-14(20-21-15)17-6-3-11-25-17/h1-6,11-12H,7-10H2,(H,20,21).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 340.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 20906463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).