1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone

C15H9F4N3O — CID 135132187

IUPAC1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccnc3c(F)cccc23)c1C(F)(F)F
InChIInChI=1S/C15H9F4N3O/c1-8(23)10-7-21-22(14(10)15(17,18)19)12-5-6-20-13-9(12)3-2-4-11(13)16/h2-7H,1H3
InChIKeyMXAFEAVCOLNJRX-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.78
Rot. Bonds2

About 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone

1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone (PubChem CID 135132187) has the molecular formula C15H9F4N3O and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone
PubChem CID135132187
Molecular FormulaC15H9F4N3O
Molecular Weight323.25 g/mol
Exact Mass323.07
IUPAC Name1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccnc3c(F)cccc23)c1C(F)(F)F
InChIInChI=1S/C15H9F4N3O/c1-8(23)10-7-21-22(14(10)15(17,18)19)12-5-6-20-13-9(12)3-2-4-11(13)16/h2-7H,1H3
InChIKeyMXAFEAVCOLNJRX-UHFFFAOYSA-N
XLogP3.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]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-[1-(2-methoxy-3-methyl-4-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 157185580
ethyl 1-(5-fluoronaphthalen-1-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610201
1-quinolin-5-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134610182
ethyl 1-naphthalen-1-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610378
5-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazole-4-carboxylic acid
CID 135132296
1-(1-benzofuran-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 134610277
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(1-ethynylisoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 170244976
N-[6-(4-acetyltriazol-2-yl)-5-chloro-3-pyridinyl]-1-(1-methoxyisoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 135132329
1-(2-acetylquinolin-4-yl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609985
ethyl 1-(2-chloro-3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 146285378
1-(2-nitro-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 176658745
1-(1-methyl-2-oxobenzo[cd]indol-6-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 176640651

Frequently Asked Questions

What is the IUPAC name of 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone (CID 135132187) is 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2ccnc3c(F)cccc23)c1C(F)(F)F.
What is the InChIKey of 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone?
The InChIKey is MXAFEAVCOLNJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O/c1-8(23)10-7-21-22(14(10)15(17,18)19)12-5-6-20-13-9(12)3-2-4-11(13)16/h2-7H,1H3.
What are the key properties of 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone?
1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone has a molecular weight of 323.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(8-fluoroquinolin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 135132187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).