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

C20H20N4O4 — CID 20865042

IUPACfuran-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]n2)c1
InChIInChI=1S/C20H20N4O4/c1-27-15-5-2-4-14(12-15)16-13-17(22-21-16)19(25)23-7-9-24(10-8-23)20(26)18-6-3-11-28-18/h2-6,11-13H,7-10H2,1H3,(H,21,22)
InChIKeyAFNIBFOKZXMDBZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.28
Rot. Bonds4

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

furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone (PubChem CID 20865042) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
PubChem CID20865042
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Namefuran-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]n2)c1
InChIInChI=1S/C20H20N4O4/c1-27-15-5-2-4-14(12-15)16-13-17(22-21-16)19(25)23-7-9-24(10-8-23)20(26)18-6-3-11-28-18/h2-6,11-13H,7-10H2,1H3,(H,21,22)
InChIKeyAFNIBFOKZXMDBZ-UHFFFAOYSA-N
XLogP2.28
TPSA91.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone (CID 20865042) is furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]n2)c1.
What is the InChIKey of furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone?
The InChIKey is AFNIBFOKZXMDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-27-15-5-2-4-14(12-15)16-13-17(22-21-16)19(25)23-7-9-24(10-8-23)20(26)18-6-3-11-28-18/h2-6,11-13H,7-10H2,1H3,(H,21,22).
What are the key properties of furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone has a molecular weight of 380.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 20865042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).