N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C16H20N4O3 — CID 128968158

IUPACN-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCN(C(=O)CCc3ccco3)C2)n1
InChIInChI=1S/C16H20N4O3/c1-12(21)17-15-7-9-20(18-15)13-6-8-19(11-13)16(22)5-4-14-3-2-10-23-14/h2-3,7,9-10,13H,4-6,8,11H2,1H3,(H,17,18,21)
InChIKeyCGHXYVLXNPVEMI-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.84
Rot. Bonds5

About N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 128968158) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID128968158
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn(C2CCN(C(=O)CCc3ccco3)C2)n1
InChIInChI=1S/C16H20N4O3/c1-12(21)17-15-7-9-20(18-15)13-6-8-19(11-13)16(22)5-4-14-3-2-10-23-14/h2-3,7,9-10,13H,4-6,8,11H2,1H3,(H,17,18,21)
InChIKeyCGHXYVLXNPVEMI-UHFFFAOYSA-N
XLogP1.84
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 128968158) is N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn(C2CCN(C(=O)CCc3ccco3)C2)n1.
What is the InChIKey of N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is CGHXYVLXNPVEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-12(21)17-15-7-9-20(18-15)13-6-8-19(11-13)16(22)5-4-14-3-2-10-23-14/h2-3,7,9-10,13H,4-6,8,11H2,1H3,(H,17,18,21).
What are the key properties of N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 128968158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).