2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide

C20H20N4O3 — CID 31075625

IUPAC2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1ccc(-c2cccc(-c3ccc(C(=O)N4CCCC4)o3)c2)n1
InChIInChI=1S/C20H20N4O3/c21-19(25)13-24-11-8-16(22-24)14-4-3-5-15(12-14)17-6-7-18(27-17)20(26)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,13H2,(H2,21,25)
InChIKeyMHSIRQFUNKMFMX-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.53
Rot. Bonds5

About 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide

2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide (PubChem CID 31075625) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide
PubChem CID31075625
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1ccc(-c2cccc(-c3ccc(C(=O)N4CCCC4)o3)c2)n1
InChIInChI=1S/C20H20N4O3/c21-19(25)13-24-11-8-16(22-24)14-4-3-5-15(12-14)17-6-7-18(27-17)20(26)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,13H2,(H2,21,25)
InChIKeyMHSIRQFUNKMFMX-UHFFFAOYSA-N
XLogP2.53
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide (CID 31075625) is 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide is NC(=O)Cn1ccc(-c2cccc(-c3ccc(C(=O)N4CCCC4)o3)c2)n1.
What is the InChIKey of 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide?
The InChIKey is MHSIRQFUNKMFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c21-19(25)13-24-11-8-16(22-24)14-4-3-5-15(12-14)17-6-7-18(27-17)20(26)23-9-1-2-10-23/h3-8,11-12H,1-2,9-10,13H2,(H2,21,25).
What are the key properties of 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide?
2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[5-(pyrrolidine-1-carbonyl)furan-2-yl]phenyl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 31075625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).