N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H13F3N4O — CID 78914872

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-5-8(6(2)16-15-5)14-7(17)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDTKOKFZEZGLWOC-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.12
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914872) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914872
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H13F3N4O/c1-5-8(6(2)16-15-5)14-7(17)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDTKOKFZEZGLWOC-UHFFFAOYSA-N
XLogP1.12
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914872) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1n[nH]c(C)c1NC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is DTKOKFZEZGLWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5-8(6(2)16-15-5)14-7(17)3-13-4-9(10,11)12/h13H,3-4H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.22 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).