2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

C20H14ClF3N6O2 — CID 57458538

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H14ClF3N6O2/c21-15-3-1-2-4-16(15)30-19(9-17(28-30)20(22,23)24)32-10-18(31)27-13-5-7-14(8-6-13)29-12-25-11-26-29/h1-9,11-12H,10H2,(H,27,31)
InChIKeyRVPZWJUZJBHAHV-UHFFFAOYSA-N
MW462.82 g/mol
LogP4.14
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 57458538) has the molecular formula C20H14ClF3N6O2 and a molecular weight of 462.82 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID57458538
Molecular FormulaC20H14ClF3N6O2
Molecular Weight462.82 g/mol
Exact Mass462.08
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H14ClF3N6O2/c21-15-3-1-2-4-16(15)30-19(9-17(28-30)20(22,23)24)32-10-18(31)27-13-5-7-14(8-6-13)29-12-25-11-26-29/h1-9,11-12H,10H2,(H,27,31)
InChIKeyRVPZWJUZJBHAHV-UHFFFAOYSA-N
XLogP4.14
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 57458369
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-pyridin-3-ylacetamide
CID 57458479
5-[[2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetyl]amino]-2-hydroxybenzoic acid
CID 59240271
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 57458428
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dimethylphenyl)acetamide
CID 57458370
N-(2-chloro-4-methylphenyl)-2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
CID 57458383
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetamide
CID 57470290
CID 90149290
CID 90149290
2-[[2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetyl]amino]-4-fluorobenzoic acid
CID 57458592
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(5-methoxy-2-methylphenyl)acetamide
CID 57458246
2-[[2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxyacetyl]amino]-6-methylbenzoic acid
CID 57458553
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-quinolin-5-ylacetamide
CID 57458469

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 57458538) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is O=C(COc1cc(C(F)(F)F)nn1-c1ccccc1Cl)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is RVPZWJUZJBHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6O2/c21-15-3-1-2-4-16(15)30-19(9-17(28-30)20(22,23)24)32-10-18(31)27-13-5-7-14(8-6-13)29-12-25-11-26-29/h1-9,11-12H,10H2,(H,27,31).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 462.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 57458538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).