N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide

C12H17F3N4O2 — CID 56873173

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N4O2/c1-8-9(5-18(2)17-8)16-11(20)7-19-3-4-21-10(6-19)12(13,14)15/h5,10H,3-4,6-7H2,1-2H3,(H,16,20)
InChIKeyMYJDBEHOEOPXOF-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.93
Rot. Bonds3

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

N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide (PubChem CID 56873173) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide
PubChem CID56873173
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CN1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H17F3N4O2/c1-8-9(5-18(2)17-8)16-11(20)7-19-3-4-21-10(6-19)12(13,14)15/h5,10H,3-4,6-7H2,1-2H3,(H,16,20)
InChIKeyMYJDBEHOEOPXOF-UHFFFAOYSA-N
XLogP0.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide (CID 56873173) is N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide is Cc1nn(C)cc1NC(=O)CN1CCOC(C(F)(F)F)C1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide?
The InChIKey is MYJDBEHOEOPXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-8-9(5-18(2)17-8)16-11(20)7-19-3-4-21-10(6-19)12(13,14)15/h5,10H,3-4,6-7H2,1-2H3,(H,16,20).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide has a molecular weight of 306.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[2-(trifluoromethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 56873173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).