N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H15F3N4O — CID 113349975

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1nn(C)cc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-3-7-8(5-17(2)16-7)15-9(18)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyHDTMSHNMYWTRPK-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.07
Rot. Bonds5

About N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113349975) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113349975
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1nn(C)cc1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-3-7-8(5-17(2)16-7)15-9(18)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18)
InChIKeyHDTMSHNMYWTRPK-UHFFFAOYSA-N
XLogP1.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 113349975) is N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CCc1nn(C)cc1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HDTMSHNMYWTRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-3-7-8(5-17(2)16-7)15-9(18)4-14-6-10(11,12)13/h5,14H,3-4,6H2,1-2H3,(H,15,18).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 264.25 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113349975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).