[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

C17H16N4O3S — CID 20910935

IUPAC[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16N4O3S/c22-16(13-11-12(18-19-13)14-3-1-9-24-14)20-5-7-21(8-6-20)17(23)15-4-2-10-25-15/h1-4,9-11H,5-8H2,(H,18,19)
InChIKeyQPCOKITVPNDSAK-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.33
Rot. Bonds3

About [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 20910935) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID20910935
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16N4O3S/c22-16(13-11-12(18-19-13)14-3-1-9-24-14)20-5-7-21(8-6-20)17(23)15-4-2-10-25-15/h1-4,9-11H,5-8H2,(H,18,19)
InChIKeyQPCOKITVPNDSAK-UHFFFAOYSA-N
XLogP2.33
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 20910935) is [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QPCOKITVPNDSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-16(13-11-12(18-19-13)14-3-1-9-24-14)20-5-7-21(8-6-20)17(23)15-4-2-10-25-15/h1-4,9-11H,5-8H2,(H,18,19).
What are the key properties of [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 356.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 20910935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).