N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

C17H17F3N4O2 — CID 146086169

IUPACN-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)NC(C#N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c1-10-16(11(2)24(3)23-10)26-9-15(25)22-14(8-21)12-5-4-6-13(7-12)17(18,19)20/h4-7,14H,9H2,1-3H3,(H,22,25)
InChIKeyFFDUIBAERBRGQG-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.82
Rot. Bonds5

About N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (PubChem CID 146086169) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
PubChem CID146086169
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)NC(C#N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c1-10-16(11(2)24(3)23-10)26-9-15(25)22-14(8-21)12-5-4-6-13(7-12)17(18,19)20/h4-7,14H,9H2,1-3H3,(H,22,25)
InChIKeyFFDUIBAERBRGQG-UHFFFAOYSA-N
XLogP2.82
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(S)-(3-chlorophenyl)-cyanomethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95159028
(2R)-N-[(R)-(3-chlorophenyl)-cyanomethyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95159026
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908675
2-(3-acetylphenoxy)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41188622
2-(2-hydroxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 55090776
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 120568365
N-[1-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 122143501
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119526824
1,3-dimethyl-4-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-7H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 166217774
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 55515590

Frequently Asked Questions

What is the IUPAC name of N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (CID 146086169) is N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is Cc1nn(C)c(C)c1OCC(=O)NC(C#N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The InChIKey is FFDUIBAERBRGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-10-16(11(2)24(3)23-10)26-9-15(25)22-14(8-21)12-5-4-6-13(7-12)17(18,19)20/h4-7,14H,9H2,1-3H3,(H,22,25).
What are the key properties of N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide has a molecular weight of 366.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-[3-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 146086169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).