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

C12H17F3N2 — CID 90162241

IUPAC4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
SMILESCC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1
InChIInChI=1S/C12H17F3N2/c1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13/h6-8,12H,4-5H2,1-3H3
InChIKeyVAWWBIVBAYNOII-UHFFFAOYSA-N
MW246.28 g/mol
LogP4.31
Rot. Bonds4

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

4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole (PubChem CID 90162241) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
PubChem CID90162241
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole
SMILESCC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1
InChIInChI=1S/C12H17F3N2/c1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13/h6-8,12H,4-5H2,1-3H3
InChIKeyVAWWBIVBAYNOII-UHFFFAOYSA-N
XLogP4.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole (CID 90162241) is 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole is CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
The InChIKey is VAWWBIVBAYNOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13/h6-8,12H,4-5H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole?
4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole has a molecular weight of 246.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 90162241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).