4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

C9H12ClF3N2 — CID 59833770

IUPAC4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(Cl)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C9H12ClF3N2/c1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h5H,4H2,1-3H3
InChIKeyXROHNHUQPDOQCN-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.70
Rot. Bonds2

About 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole

4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 59833770) has the molecular formula C9H12ClF3N2 and a molecular weight of 240.66 g/mol. Its IUPAC name is 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID59833770
Molecular FormulaC9H12ClF3N2
Molecular Weight240.66 g/mol
Exact Mass240.06
IUPAC Name4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCc1c(Cl)c(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C9H12ClF3N2/c1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h5H,4H2,1-3H3
InChIKeyXROHNHUQPDOQCN-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 59833770) is 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is CCc1c(Cl)c(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is XROHNHUQPDOQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N2/c1-4-6-7(10)8(9(11,12)13)14-15(6)5(2)3/h5H,4H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole?
4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 240.66 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59833770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).