N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C17H24N4O2 — CID 56825329

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCCC2c2cnn(C)c2)o1
InChIInChI=1S/C17H24N4O2/c1-13-6-7-15(23-13)11-19(2)17(22)12-21-8-4-5-16(21)14-9-18-20(3)10-14/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3
InChIKeyYMWDUQGQSSBOAD-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.12
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 56825329) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID56825329
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCCC2c2cnn(C)c2)o1
InChIInChI=1S/C17H24N4O2/c1-13-6-7-15(23-13)11-19(2)17(22)12-21-8-4-5-16(21)14-9-18-20(3)10-14/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3
InChIKeyYMWDUQGQSSBOAD-UHFFFAOYSA-N
XLogP2.12
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 56825329) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCCC2c2cnn(C)c2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is YMWDUQGQSSBOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-6-7-15(23-13)11-19(2)17(22)12-21-8-4-5-16(21)14-9-18-20(3)10-14/h6-7,9-10,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 316.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56825329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).