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

C18H17ClN4O2 — CID 20906450

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H17ClN4O2/c19-13-3-1-4-14(11-13)22-6-8-23(9-7-22)18(24)16-12-15(20-21-16)17-5-2-10-25-17/h1-5,10-12H,6-9H2,(H,20,21)
InChIKeyFFHPCBQKMLLZLH-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.29
Rot. Bonds3

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

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 20906450) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID20906450
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H17ClN4O2/c19-13-3-1-4-14(11-13)22-6-8-23(9-7-22)18(24)16-12-15(20-21-16)17-5-2-10-25-17/h1-5,10-12H,6-9H2,(H,20,21)
InChIKeyFFHPCBQKMLLZLH-UHFFFAOYSA-N
XLogP3.29
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 20906450) is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is FFHPCBQKMLLZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-13-3-1-4-14(11-13)22-6-8-23(9-7-22)18(24)16-12-15(20-21-16)17-5-2-10-25-17/h1-5,10-12H,6-9H2,(H,20,21).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 356.81 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 20906450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).