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

C15H22F2N4O3 — CID 86863395

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C15H22F2N4O3/c1-9-12(11(3)21(19-9)15(16)17)8-13(22)18-10(2)14(23)20-4-6-24-7-5-20/h10,15H,4-8H2,1-3H3,(H,18,22)
InChIKeyWTROJCRICDVYBN-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.80
Rot. Bonds5

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide (PubChem CID 86863395) has the molecular formula C15H22F2N4O3 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
PubChem CID86863395
Molecular FormulaC15H22F2N4O3
Molecular Weight344.36 g/mol
Exact Mass344.17
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C15H22F2N4O3/c1-9-12(11(3)21(19-9)15(16)17)8-13(22)18-10(2)14(23)20-4-6-24-7-5-20/h10,15H,4-8H2,1-3H3,(H,18,22)
InChIKeyWTROJCRICDVYBN-UHFFFAOYSA-N
XLogP0.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide (CID 86863395) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide?
The InChIKey is WTROJCRICDVYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3/c1-9-12(11(3)21(19-9)15(16)17)8-13(22)18-10(2)14(23)20-4-6-24-7-5-20/h10,15H,4-8H2,1-3H3,(H,18,22).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide has a molecular weight of 344.36 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide is sourced from PubChem (CID 86863395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).