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

C11H14F3N3O2 — CID 55171212

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC(O)C1CC1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-4-17(16-9)6-10(19)15-5-8(18)7-1-2-7/h3-4,7-8,18H,1-2,5-6H2,(H,15,19)
InChIKeyQZCMWDHGFXOKRG-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.79
Rot. Bonds5

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

N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55171212) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55171212
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC(O)C1CC1
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-4-17(16-9)6-10(19)15-5-8(18)7-1-2-7/h3-4,7-8,18H,1-2,5-6H2,(H,15,19)
InChIKeyQZCMWDHGFXOKRG-UHFFFAOYSA-N
XLogP0.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55171212) is N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QZCMWDHGFXOKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)9-3-4-17(16-9)6-10(19)15-5-8(18)7-1-2-7/h3-4,7-8,18H,1-2,5-6H2,(H,15,19).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 277.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55171212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).