5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole

C11H15F3N2 — CID 90162238

IUPAC5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
SMILESC=Cc1c(C(C)F)nn(C(C)C)c1C(F)F
InChIInChI=1S/C11H15F3N2/c1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14/h5-7,11H,1H2,2-4H3
InChIKeySZKJPLZPRNEKFU-UHFFFAOYSA-N
MW232.25 g/mol
LogP4.08
Rot. Bonds4

About 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole

5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole (PubChem CID 90162238) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
PubChem CID90162238
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
SMILESC=Cc1c(C(C)F)nn(C(C)C)c1C(F)F
InChIInChI=1S/C11H15F3N2/c1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14/h5-7,11H,1H2,2-4H3
InChIKeySZKJPLZPRNEKFU-UHFFFAOYSA-N
XLogP4.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole (CID 90162238) is 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole is C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The InChIKey is SZKJPLZPRNEKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14/h5-7,11H,1H2,2-4H3.
What are the key properties of 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole has a molecular weight of 232.25 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 90162238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).