N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide

C16H20N4O2S — CID 56824958

IUPACN-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCCC2c2cnn(C)c2)s1
InChIInChI=1S/C16H20N4O2S/c1-11(21)17-9-13-5-6-15(23-13)16(22)20-7-3-4-14(20)12-8-18-19(2)10-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,21)
InChIKeyFNPYWWADLWGLHH-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.10
Rot. Bonds4

About N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide

N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide (PubChem CID 56824958) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
PubChem CID56824958
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCCC2c2cnn(C)c2)s1
InChIInChI=1S/C16H20N4O2S/c1-11(21)17-9-13-5-6-15(23-13)16(22)20-7-3-4-14(20)12-8-18-19(2)10-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,21)
InChIKeyFNPYWWADLWGLHH-UHFFFAOYSA-N
XLogP2.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide (CID 56824958) is N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCCC2c2cnn(C)c2)s1.
What is the InChIKey of N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is FNPYWWADLWGLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(21)17-9-13-5-6-15(23-13)16(22)20-7-3-4-14(20)12-8-18-19(2)10-12/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,21).
What are the key properties of N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 56824958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).