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

C10H15F3N2 — CID 90162226

IUPAC5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole
SMILESCc1c(C(C)F)nn(C(C)C)c1C(F)F
InChIInChI=1S/C10H15F3N2/c1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11/h5,7,10H,1-4H3
InChIKeyAMXMBPCUWYWQOO-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.74
Rot. Bonds3

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

5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole (PubChem CID 90162226) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole
PubChem CID90162226
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole
SMILESCc1c(C(C)F)nn(C(C)C)c1C(F)F
InChIInChI=1S/C10H15F3N2/c1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11/h5,7,10H,1-4H3
InChIKeyAMXMBPCUWYWQOO-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole (CID 90162226) is 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole is Cc1c(C(C)F)nn(C(C)C)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole?
The InChIKey is AMXMBPCUWYWQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11/h5,7,10H,1-4H3.
What are the key properties of 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole?
5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 90162226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).