N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C8H10F3N3O2 — CID 19530798

IUPACN-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCO
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)6-1-3-14(13-6)5-7(16)12-2-4-15/h1,3,15H,2,4-5H2,(H,12,16)
InChIKeyVBBZNRBKFUVJOY-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.01
Rot. Bonds4

About N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19530798) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID19530798
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCO
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)6-1-3-14(13-6)5-7(16)12-2-4-15/h1,3,15H,2,4-5H2,(H,12,16)
InChIKeyVBBZNRBKFUVJOY-UHFFFAOYSA-N
XLogP0.01
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 19530798) is N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VBBZNRBKFUVJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)6-1-3-14(13-6)5-7(16)12-2-4-15/h1,3,15H,2,4-5H2,(H,12,16).
What are the key properties of N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 237.18 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19530798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).