5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole

C11H16F2N2 — CID 90162039

IUPAC5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(C(C)(F)F)cc1C1CC1
InChIInChI=1S/C11H16F2N2/c1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13/h6-8H,4-5H2,1-3H3
InChIKeyLAFDXDLEVDXYLP-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.45
Rot. Bonds3

About 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole

5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole (PubChem CID 90162039) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
PubChem CID90162039
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(C(C)(F)F)cc1C1CC1
InChIInChI=1S/C11H16F2N2/c1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13/h6-8H,4-5H2,1-3H3
InChIKeyLAFDXDLEVDXYLP-UHFFFAOYSA-N
XLogP3.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole (CID 90162039) is 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole is CC(C)n1nc(C(C)(F)F)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole?
The InChIKey is LAFDXDLEVDXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole?
5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole has a molecular weight of 214.26 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 90162039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).