4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole

C7H10ClF3N2 — CID 162550148

IUPAC4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole
SMILESCCC1=C(Cl)C(C(F)(F)F)N(C)N1
InChIInChI=1S/C7H10ClF3N2/c1-3-4-5(8)6(7(9,10)11)13(2)12-4/h6,12H,3H2,1-2H3
InChIKeyMYIOFUDOOMMADM-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.23
Rot. Bonds1

About 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole

4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole (PubChem CID 162550148) has the molecular formula C7H10ClF3N2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole
PubChem CID162550148
Molecular FormulaC7H10ClF3N2
Molecular Weight214.62 g/mol
Exact Mass214.05
IUPAC Name4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole
SMILESCCC1=C(Cl)C(C(F)(F)F)N(C)N1
InChIInChI=1S/C7H10ClF3N2/c1-3-4-5(8)6(7(9,10)11)13(2)12-4/h6,12H,3H2,1-2H3
InChIKeyMYIOFUDOOMMADM-UHFFFAOYSA-N
XLogP2.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The IUPAC name of 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole (CID 162550148) is 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole.
What is the SMILES notation for 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The canonical SMILES for 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole is CCC1=C(Cl)C(C(F)(F)F)N(C)N1.
What is the InChIKey of 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The InChIKey is MYIOFUDOOMMADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3N2/c1-3-4-5(8)6(7(9,10)11)13(2)12-4/h6,12H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole has a molecular weight of 214.62 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole is sourced from PubChem (CID 162550148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).