N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H14F3N3O2 — CID 86991460

IUPACN-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCn1nccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-2-5-16-8(3-4-14-16)15-9(17)6-18-7-10(11,12)13/h3-4H,2,5-7H2,1H3,(H,15,17)
InChIKeyNQNOMWWBZQZTGD-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.81
Rot. Bonds6

About N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86991460) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86991460
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCn1nccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-2-5-16-8(3-4-14-16)15-9(17)6-18-7-10(11,12)13/h3-4H,2,5-7H2,1H3,(H,15,17)
InChIKeyNQNOMWWBZQZTGD-UHFFFAOYSA-N
XLogP1.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
2-(3-tert-butylphenoxy)-N-(2-propylpyrazol-3-yl)acetamide
CID 55675906
2-(2-methoxyethylamino)-N-(2-propylpyrazol-3-yl)acetamide;hydrochloride
CID 119719149
2-[2-hydroxyethyl(methyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 111123044
N-methyl-1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215294
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 154833804
2-(4-fluorophenoxy)-2-methyl-N-(2-propylpyrazol-3-yl)propanamide
CID 78865587
N-(4-amino-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205709
[2-oxo-2-[(2-propylpyrazol-3-yl)amino]ethyl] (Z)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate
CID 98528003
N-(2-ethylpyrazol-3-yl)propanamide
CID 59069155
[1-(2-propylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151691

Frequently Asked Questions

What is the IUPAC name of N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 86991460) is N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is CCCn1nccc1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NQNOMWWBZQZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-2-5-16-8(3-4-14-16)15-9(17)6-18-7-10(11,12)13/h3-4H,2,5-7H2,1H3,(H,15,17).
What are the key properties of N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 265.23 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86991460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).