(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

C12H8ClF3N2O — CID 115809281

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCn1ncc(Cl)c1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O/c1-18-10(9(13)6-17-18)11(19)7-2-4-8(5-3-7)12(14,15)16/h2-6H,1H3
InChIKeyRGUAKUUCCUNOMX-UHFFFAOYSA-N
MW288.66 g/mol
LogP3.32
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 115809281) has the molecular formula C12H8ClF3N2O and a molecular weight of 288.66 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID115809281
Molecular FormulaC12H8ClF3N2O
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCn1ncc(Cl)c1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H8ClF3N2O/c1-18-10(9(13)6-17-18)11(19)7-2-4-8(5-3-7)12(14,15)16/h2-6H,1H3
InChIKeyRGUAKUUCCUNOMX-UHFFFAOYSA-N
XLogP3.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 115809281) is (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is Cn1ncc(Cl)c1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is RGUAKUUCCUNOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O/c1-18-10(9(13)6-17-18)11(19)7-2-4-8(5-3-7)12(14,15)16/h2-6H,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 288.66 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 115809281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).