4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C9H11ClF3N3O2 — CID 19268051

IUPAC4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H11ClF3N3O2/c1-16-7(9(11,12)13)5(10)6(15-16)8(17)14-3-4-18-2/h3-4H2,1-2H3,(H,14,17)
InChIKeyGWZXKHYNCCFKDL-UHFFFAOYSA-N
MW285.65 g/mol
LogP1.47
Rot. Bonds4

About 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268051) has the molecular formula C9H11ClF3N3O2 and a molecular weight of 285.65 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19268051
Molecular FormulaC9H11ClF3N3O2
Molecular Weight285.65 g/mol
Exact Mass285.05
IUPAC Name4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C9H11ClF3N3O2/c1-16-7(9(11,12)13)5(10)6(15-16)8(17)14-3-4-18-2/h3-4H2,1-2H3,(H,14,17)
InChIKeyGWZXKHYNCCFKDL-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.65
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19268051) is 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is COCCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is GWZXKHYNCCFKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2/c1-16-7(9(11,12)13)5(10)6(15-16)8(17)14-3-4-18-2/h3-4H2,1-2H3,(H,14,17).
What are the key properties of 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 285.65 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).