5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole

C7H8ClF3N2 — CID 59688331

IUPAC5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C7H8ClF3N2/c1-3-4-5(7(9,10)11)12-13(2)6(4)8/h3H2,1-2H3
InChIKeyAJKFKOBZQVGJJV-UHFFFAOYSA-N
MW212.60 g/mol
LogP2.65
Rot. Bonds1

About 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole

5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 59688331) has the molecular formula C7H8ClF3N2 and a molecular weight of 212.60 g/mol. Its IUPAC name is 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID59688331
Molecular FormulaC7H8ClF3N2
Molecular Weight212.60 g/mol
Exact Mass212.03
IUPAC Name5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C7H8ClF3N2/c1-3-4-5(7(9,10)11)12-13(2)6(4)8/h3H2,1-2H3
InChIKeyAJKFKOBZQVGJJV-UHFFFAOYSA-N
XLogP2.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
5-chloro-4-(chloromethyl)-1,3-dimethyl-1H-pyrazole
CID 16227689
5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 43156578
4-(2-chloroethyl)-1,3,5-trimethyl-1H-pyrazole
CID 23005969
2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile
CID 75480775
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine hydrochloride
CID 165895856
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178
5-chloro-1,3,4-trimethyl-1H-pyrazole
CID 21766262
N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 1478483
5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde oxime
CID 9559906
5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 1475821
(NZ)-N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 5524340

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole (CID 59688331) is 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole is CCc1c(C(F)(F)F)nn(C)c1Cl.
What is the InChIKey of 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is AJKFKOBZQVGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2/c1-3-4-5(7(9,10)11)12-13(2)6(4)8/h3H2,1-2H3.
What are the key properties of 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole?
5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 212.60 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59688331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).