N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C17H24N4O2 — CID 56780691

IUPACN-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1C1CCCN1CC(=O)NCc1ccco1
InChIInChI=1S/C17H24N4O2/c1-12-17(13(2)20(3)19-12)15-7-4-8-21(15)11-16(22)18-10-14-6-5-9-23-14/h5-6,9,15H,4,7-8,10-11H2,1-3H3,(H,18,22)
InChIKeyYNOLNIFMOUVMKK-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.08
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 56780691) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID56780691
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1C1CCCN1CC(=O)NCc1ccco1
InChIInChI=1S/C17H24N4O2/c1-12-17(13(2)20(3)19-12)15-7-4-8-21(15)11-16(22)18-10-14-6-5-9-23-14/h5-6,9,15H,4,7-8,10-11H2,1-3H3,(H,18,22)
InChIKeyYNOLNIFMOUVMKK-UHFFFAOYSA-N
XLogP2.08
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 56780691) is N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cc1nn(C)c(C)c1C1CCCN1CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is YNOLNIFMOUVMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-17(13(2)20(3)19-12)15-7-4-8-21(15)11-16(22)18-10-14-6-5-9-23-14/h5-6,9,15H,4,7-8,10-11H2,1-3H3,(H,18,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56780691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).