2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C16H20N4O3S — CID 42285688

IUPAC2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)NCc1cccs1
InChIInChI=1S/C16H20N4O3S/c1-12-9-14(16(22)19-4-6-23-7-5-19)18-20(12)11-15(21)17-10-13-3-2-8-24-13/h2-3,8-9H,4-7,10-11H2,1H3,(H,17,21)
InChIKeyLDGSRZTVMRFDIC-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.04
Rot. Bonds5

About 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 42285688) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID42285688
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)NCc1cccs1
InChIInChI=1S/C16H20N4O3S/c1-12-9-14(16(22)19-4-6-23-7-5-19)18-20(12)11-15(21)17-10-13-3-2-8-24-13/h2-3,8-9H,4-7,10-11H2,1H3,(H,17,21)
InChIKeyLDGSRZTVMRFDIC-UHFFFAOYSA-N
XLogP1.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 42285688) is 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LDGSRZTVMRFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-12-9-14(16(22)19-4-6-23-7-5-19)18-20(12)11-15(21)17-10-13-3-2-8-24-13/h2-3,8-9H,4-7,10-11H2,1H3,(H,17,21).
What are the key properties of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 42285688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).