5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole

C9H10ClF3N2 — CID 66022849

IUPAC5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole
SMILESCC(C1CC1)n1nc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2/c1-5(6-2-3-6)15-8(10)4-7(14-15)9(11,12)13/h4-6H,2-3H2,1H3
InChIKeyQHHIMGWQKOBZHK-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.53
Rot. Bonds2

About 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole

5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 66022849) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole
PubChem CID66022849
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole
SMILESCC(C1CC1)n1nc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2/c1-5(6-2-3-6)15-8(10)4-7(14-15)9(11,12)13/h4-6H,2-3H2,1H3
InChIKeyQHHIMGWQKOBZHK-UHFFFAOYSA-N
XLogP3.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole (CID 66022849) is 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole is CC(C1CC1)n1nc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is QHHIMGWQKOBZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2/c1-5(6-2-3-6)15-8(10)4-7(14-15)9(11,12)13/h4-6H,2-3H2,1H3.
What are the key properties of 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole?
5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 238.64 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-cyclopropylethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66022849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).