2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide

C14H11ClF3N5O2 — CID 88677706

IUPAC2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide
SMILESCON(CC(N)=O)c1c(C#N)cnn1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N5O2/c1-25-22(7-12(20)24)13-8(5-19)6-21-23(13)11-3-2-9(4-10(11)15)14(16,17)18/h2-4,6H,7H2,1H3,(H2,20,24)
InChIKeyJZWZYOQIYMYFMS-UHFFFAOYSA-N
MW373.72 g/mol
LogP2.27
Rot. Bonds5

About 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide

2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide (PubChem CID 88677706) has the molecular formula C14H11ClF3N5O2 and a molecular weight of 373.72 g/mol. Its IUPAC name is 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide.

Molecular Properties

Compound Name2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide
PubChem CID88677706
Molecular FormulaC14H11ClF3N5O2
Molecular Weight373.72 g/mol
Exact Mass373.06
IUPAC Name2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide
SMILESCON(CC(N)=O)c1c(C#N)cnn1-c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N5O2/c1-25-22(7-12(20)24)13-8(5-19)6-21-23(13)11-3-2-9(4-10(11)15)14(16,17)18/h2-4,6H,7H2,1H3,(H2,20,24)
InChIKeyJZWZYOQIYMYFMS-UHFFFAOYSA-N
XLogP2.27
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide?
The IUPAC name of 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide (CID 88677706) is 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide.
What is the SMILES notation for 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide?
The canonical SMILES for 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide is CON(CC(N)=O)c1c(C#N)cnn1-c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide?
The InChIKey is JZWZYOQIYMYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N5O2/c1-25-22(7-12(20)24)13-8(5-19)6-21-23(13)11-3-2-9(4-10(11)15)14(16,17)18/h2-4,6H,7H2,1H3,(H2,20,24).
What are the key properties of 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide?
2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide has a molecular weight of 373.72 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-chloro-4-(trifluoromethyl)phenyl]-4-cyanopyrazol-5-yl]-methoxyamino]acetamide is sourced from PubChem (CID 88677706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).