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

C13H20F2N2 — CID 90162078

IUPAC5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(C(C)(F)F)cc1C1CCCC1
InChIInChI=1S/C13H20F2N2/c1-9(2)17-11(10-6-4-5-7-10)8-12(16-17)13(3,14)15/h8-10H,4-7H2,1-3H3
InChIKeyGVZGQTLAYAQZLO-UHFFFAOYSA-N
MW242.31 g/mol
LogP4.23
Rot. Bonds3

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

5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole (PubChem CID 90162078) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
PubChem CID90162078
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
SMILESCC(C)n1nc(C(C)(F)F)cc1C1CCCC1
InChIInChI=1S/C13H20F2N2/c1-9(2)17-11(10-6-4-5-7-10)8-12(16-17)13(3,14)15/h8-10H,4-7H2,1-3H3
InChIKeyGVZGQTLAYAQZLO-UHFFFAOYSA-N
XLogP4.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole (CID 90162078) is 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole is CC(C)n1nc(C(C)(F)F)cc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole?
The InChIKey is GVZGQTLAYAQZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-9(2)17-11(10-6-4-5-7-10)8-12(16-17)13(3,14)15/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole?
5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole has a molecular weight of 242.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 90162078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).