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

C10H14F3N3O2 — CID 43418133

IUPACN-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCC(CO)NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-2-7(6-17)14-9(18)5-16-4-3-8(15-16)10(11,12)13/h3-4,7,17H,2,5-6H2,1H3,(H,14,18)
InChIKeyPHYJJBAHWPNJAH-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.79
Rot. Bonds5

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

N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 43418133) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID43418133
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCC(CO)NC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-2-7(6-17)14-9(18)5-16-4-3-8(15-16)10(11,12)13/h3-4,7,17H,2,5-6H2,1H3,(H,14,18)
InChIKeyPHYJJBAHWPNJAH-UHFFFAOYSA-N
XLogP0.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 43418133) is N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCC(CO)NC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is PHYJJBAHWPNJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-7(6-17)14-9(18)5-16-4-3-8(15-16)10(11,12)13/h3-4,7,17H,2,5-6H2,1H3,(H,14,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 265.23 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-(1-hydroxybutan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43418133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).