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

C13H13ClF3N3 — CID 61237757

IUPAC3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCc1c(C)nn(-c2ncc(C(F)(F)F)cc2Cl)c1C
InChIInChI=1S/C13H13ClF3N3/c1-4-10-7(2)19-20(8(10)3)12-11(14)5-9(6-18-12)13(15,16)17/h5-6H,4H2,1-3H3
InChIKeyAPPJAFVUEUHFOM-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.12
Rot. Bonds2

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

3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 61237757) has the molecular formula C13H13ClF3N3 and a molecular weight of 303.72 g/mol. Its IUPAC name is 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID61237757
Molecular FormulaC13H13ClF3N3
Molecular Weight303.72 g/mol
Exact Mass303.08
IUPAC Name3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCc1c(C)nn(-c2ncc(C(F)(F)F)cc2Cl)c1C
InChIInChI=1S/C13H13ClF3N3/c1-4-10-7(2)19-20(8(10)3)12-11(14)5-9(6-18-12)13(15,16)17/h5-6H,4H2,1-3H3
InChIKeyAPPJAFVUEUHFOM-UHFFFAOYSA-N
XLogP4.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716261
2-[4-(bromomethyl)-5-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 66438811
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
CID 66439207
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
2-(5-chloro-4-ethyl-3-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 66020937
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 43168599
4-chloro-5-ethyl-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 63730226
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-methylpyridine-3-carboxylic acid
CID 80632665
3-chloro-2-[5-methylsulfonyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 103596081
3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 107447281
3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78989659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 61237757) is 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is CCc1c(C)nn(-c2ncc(C(F)(F)F)cc2Cl)c1C.
What is the InChIKey of 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is APPJAFVUEUHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3/c1-4-10-7(2)19-20(8(10)3)12-11(14)5-9(6-18-12)13(15,16)17/h5-6H,4H2,1-3H3.
What are the key properties of 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 303.72 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 61237757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).