2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide

C19H26F2N4O2S — CID 71863733

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)Cc2c(C)nn(C(F)F)c2C)N2CCOCC2)s1
InChIInChI=1S/C19H26F2N4O2S/c1-12-4-5-17(28-12)16(24-6-8-27-9-7-24)11-22-18(26)10-15-13(2)23-25(14(15)3)19(20)21/h4-5,16,19H,6-11H2,1-3H3,(H,22,26)
InChIKeyZZJMCLFOFHBGHP-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.00
Rot. Bonds7

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 71863733) has the molecular formula C19H26F2N4O2S and a molecular weight of 412.51 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide
PubChem CID71863733
Molecular FormulaC19H26F2N4O2S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)Cc2c(C)nn(C(F)F)c2C)N2CCOCC2)s1
InChIInChI=1S/C19H26F2N4O2S/c1-12-4-5-17(28-12)16(24-6-8-27-9-7-24)11-22-18(26)10-15-13(2)23-25(14(15)3)19(20)21/h4-5,16,19H,6-11H2,1-3H3,(H,22,26)
InChIKeyZZJMCLFOFHBGHP-UHFFFAOYSA-N
XLogP3.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide (CID 71863733) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc(C(CNC(=O)Cc2c(C)nn(C(F)F)c2C)N2CCOCC2)s1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is ZZJMCLFOFHBGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O2S/c1-12-4-5-17(28-12)16(24-6-8-27-9-7-24)11-22-18(26)10-15-13(2)23-25(14(15)3)19(20)21/h4-5,16,19H,6-11H2,1-3H3,(H,22,26).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 71863733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).