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

C10H15F3N4O — CID 112690885

IUPACN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)c1cc(NC(=O)CNCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H15F3N4O/c1-6(2)7-3-8(17-16-7)15-9(18)4-14-5-10(11,12)13/h3,6,14H,4-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyCLGLTRYOJWQJTP-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.62
Rot. Bonds5

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

N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 112690885) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID112690885
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC NameN-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)c1cc(NC(=O)CNCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H15F3N4O/c1-6(2)7-3-8(17-16-7)15-9(18)4-14-5-10(11,12)13/h3,6,14H,4-5H2,1-2H3,(H2,15,16,17,18)
InChIKeyCLGLTRYOJWQJTP-UHFFFAOYSA-N
XLogP1.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 112690885) is N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)c1cc(NC(=O)CNCC(F)(F)F)n[nH]1.
What is the InChIKey of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is CLGLTRYOJWQJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6(2)7-3-8(17-16-7)15-9(18)4-14-5-10(11,12)13/h3,6,14H,4-5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 264.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 112690885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).