N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H17F3N4O2 — CID 78958229

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)8-16-5-11(20)18-9-4-17-19(6-9)7-10-2-1-3-21-10/h4,6,10,16H,1-3,5,7-8H2,(H,18,20)
InChIKeyIUULGQOZOONOAG-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.15
Rot. Bonds6

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958229) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958229
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C12H17F3N4O2/c13-12(14,15)8-16-5-11(20)18-9-4-17-19(6-9)7-10-2-1-3-21-10/h4,6,10,16H,1-3,5,7-8H2,(H,18,20)
InChIKeyIUULGQOZOONOAG-UHFFFAOYSA-N
XLogP1.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958229) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IUULGQOZOONOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c13-12(14,15)8-16-5-11(20)18-9-4-17-19(6-9)7-10-2-1-3-21-10/h4,6,10,16H,1-3,5,7-8H2,(H,18,20).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 306.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).