1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C10H12ClF3N2O2 — CID 103214390

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC(C)n1ncc(Cl)c1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O2/c1-6(2)16-9(7(11)3-15-16)8(17)4-18-5-10(12,13)14/h3,6H,4-5H2,1-2H3
InChIKeyJJPFDHYOZOYXSF-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214390) has the molecular formula C10H12ClF3N2O2 and a molecular weight of 284.67 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214390
Molecular FormulaC10H12ClF3N2O2
Molecular Weight284.67 g/mol
Exact Mass284.05
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC(C)n1ncc(Cl)c1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O2/c1-6(2)16-9(7(11)3-15-16)8(17)4-18-5-10(12,13)14/h3,6H,4-5H2,1-2H3
InChIKeyJJPFDHYOZOYXSF-UHFFFAOYSA-N
XLogP2.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)hexan-1-one
CID 115805024
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethylbutan-1-one
CID 114670309
3-(aminomethyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-one
CID 114670481
2-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114668152
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 105130663
2-amino-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670189
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3,4-dimethylphenyl)ethanone
CID 114639909
3-(4-aminophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114671255
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
CID 114641067

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214390) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is CC(C)n1ncc(Cl)c1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is JJPFDHYOZOYXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2/c1-6(2)16-9(7(11)3-15-16)8(17)4-18-5-10(12,13)14/h3,6H,4-5H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 284.67 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).