2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C12H11ClF3N3O — CID 110006327

IUPAC2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccnc(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C12H11ClF3N3O/c13-10-5-8(1-3-17-10)6-19-7-9(2-4-20)11(18-19)12(14,15)16/h1,3,5,7,20H,2,4,6H2
InChIKeyVFPUMGRCPOYWIZ-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.53
Rot. Bonds4

About 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 110006327) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID110006327
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESOCCc1cn(Cc2ccnc(Cl)c2)nc1C(F)(F)F
InChIInChI=1S/C12H11ClF3N3O/c13-10-5-8(1-3-17-10)6-19-7-9(2-4-20)11(18-19)12(14,15)16/h1,3,5,7,20H,2,4,6H2
InChIKeyVFPUMGRCPOYWIZ-UHFFFAOYSA-N
XLogP2.53
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol 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-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 110006327) is 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is OCCc1cn(Cc2ccnc(Cl)c2)nc1C(F)(F)F.
What is the InChIKey of 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is VFPUMGRCPOYWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c13-10-5-8(1-3-17-10)6-19-7-9(2-4-20)11(18-19)12(14,15)16/h1,3,5,7,20H,2,4,6H2.
What are the key properties of 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 305.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 110006327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).