(2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone

C11H7ClF3N3O — CID 3657807

IUPAC(2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nn1C(=O)c1cccnc1Cl
InChIInChI=1S/C11H7ClF3N3O/c1-6-5-8(11(13,14)15)17-18(6)10(19)7-3-2-4-16-9(7)12/h2-5H,1H3
InChIKeyUKLQYKNOMJVPTR-UHFFFAOYSA-N
MW289.64 g/mol
LogP2.95
Rot. Bonds1

About (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone

(2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 3657807) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID3657807
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name(2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nn1C(=O)c1cccnc1Cl
InChIInChI=1S/C11H7ClF3N3O/c1-6-5-8(11(13,14)15)17-18(6)10(19)7-3-2-4-16-9(7)12/h2-5H,1H3
InChIKeyUKLQYKNOMJVPTR-UHFFFAOYSA-N
XLogP2.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]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 (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone (CID 3657807) is (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone is Cc1cc(C(F)(F)F)nn1C(=O)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is UKLQYKNOMJVPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c1-6-5-8(11(13,14)15)17-18(6)10(19)7-3-2-4-16-9(7)12/h2-5H,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone?
(2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 289.64 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 3657807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).