2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

C12H11ClF3N3 — CID 66020937

IUPAC2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1Cl
InChIInChI=1S/C12H11ClF3N3/c1-3-9-7(2)18-19(11(9)13)10-5-4-8(6-17-10)12(14,15)16/h4-6H,3H2,1-2H3
InChIKeyVGKNDGLZAFYPAO-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.81
Rot. Bonds2

About 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 66020937) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID66020937
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1Cl
InChIInChI=1S/C12H11ClF3N3/c1-3-9-7(2)18-19(11(9)13)10-5-4-8(6-17-10)12(14,15)16/h4-6H,3H2,1-2H3
InChIKeyVGKNDGLZAFYPAO-UHFFFAOYSA-N
XLogP3.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine 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

2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-5-(trifluoromethyl)pyridine
CID 63353595
2-(5-chloro-3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66021139
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716261
2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 47054860
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
3,5-diethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbaldehyde
CID 107430932
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
2-(3-methyl-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
CID 134947582
3-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381323
3-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-amine
CID 43381325
2-[3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 47047947

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 66020937) is 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is CCc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1Cl.
What is the InChIKey of 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is VGKNDGLZAFYPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-3-9-7(2)18-19(11(9)13)10-5-4-8(6-17-10)12(14,15)16/h4-6H,3H2,1-2H3.
What are the key properties of 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 289.69 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 66020937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).