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

C9H12F3N3O2 — CID 43417818

IUPACN-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCCO
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)7-2-4-15(14-7)6-8(17)13-3-1-5-16/h2,4,16H,1,3,5-6H2,(H,13,17)
InChIKeyICYXANBKKIMKSY-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.40
Rot. Bonds5

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

N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 43417818) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID43417818
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC NameN-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCCCO
InChIInChI=1S/C9H12F3N3O2/c10-9(11,12)7-2-4-15(14-7)6-8(17)13-3-1-5-16/h2,4,16H,1,3,5-6H2,(H,13,17)
InChIKeyICYXANBKKIMKSY-UHFFFAOYSA-N
XLogP0.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 43417818) is N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ICYXANBKKIMKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c10-9(11,12)7-2-4-15(14-7)6-8(17)13-3-1-5-16/h2,4,16H,1,3,5-6H2,(H,13,17).
What are the key properties of N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 251.21 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43417818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).