4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane

C7H10ClF3N2 — CID 177147966

IUPAC4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
SMILESCC.Cn1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C5H4ClF3N2.C2H6/c1-11-2-3(6)4(10-11)5(7,8)9;1-2/h2H,1H3;1-2H3
InChIKeyOJZCNKWEQUDCIG-UHFFFAOYSA-N
MW214.62 g/mol
LogP3.12
Rot. Bonds

About 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane

4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane (PubChem CID 177147966) has the molecular formula C7H10ClF3N2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
PubChem CID177147966
Molecular FormulaC7H10ClF3N2
Molecular Weight214.62 g/mol
Exact Mass214.05
IUPAC Name4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
SMILESCC.Cn1cc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C5H4ClF3N2.C2H6/c1-11-2-3(6)4(10-11)5(7,8)9;1-2/h2H,1H3;1-2H3
InChIKeyOJZCNKWEQUDCIG-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane?
The IUPAC name of 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane (CID 177147966) is 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane.
What is the SMILES notation for 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane?
The canonical SMILES for 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane is CC.Cn1cc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane?
The InChIKey is OJZCNKWEQUDCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF3N2.C2H6/c1-11-2-3(6)4(10-11)5(7,8)9;1-2/h2H,1H3;1-2H3.
What are the key properties of 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane?
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane has a molecular weight of 214.62 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane is sourced from PubChem (CID 177147966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).