1-(3,3-difluorocyclopentyl)pyrazole

C8H10F2N2 — CID 84731980

IUPAC1-(3,3-difluorocyclopentyl)pyrazole
SMILESFC1(F)CCC(n2cccn2)C1
InChIInChI=1S/C8H10F2N2/c9-8(10)3-2-7(6-8)12-5-1-4-11-12/h1,4-5,7H,2-3,6H2
InChIKeyJFVWALSUUYRQPZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.24
Rot. Bonds1

About 1-(3,3-difluorocyclopentyl)pyrazole

1-(3,3-difluorocyclopentyl)pyrazole (PubChem CID 84731980) has the molecular formula C8H10F2N2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)pyrazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)pyrazole
PubChem CID84731980
Molecular FormulaC8H10F2N2
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(3,3-difluorocyclopentyl)pyrazole
SMILESFC1(F)CCC(n2cccn2)C1
InChIInChI=1S/C8H10F2N2/c9-8(10)3-2-7(6-8)12-5-1-4-11-12/h1,4-5,7H,2-3,6H2
InChIKeyJFVWALSUUYRQPZ-UHFFFAOYSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)pyrazole?
The IUPAC name of 1-(3,3-difluorocyclopentyl)pyrazole (CID 84731980) is 1-(3,3-difluorocyclopentyl)pyrazole.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)pyrazole?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)pyrazole is FC1(F)CCC(n2cccn2)C1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)pyrazole?
The InChIKey is JFVWALSUUYRQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2/c9-8(10)3-2-7(6-8)12-5-1-4-11-12/h1,4-5,7H,2-3,6H2.
What are the key properties of 1-(3,3-difluorocyclopentyl)pyrazole?
1-(3,3-difluorocyclopentyl)pyrazole has a molecular weight of 172.18 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)pyrazole is sourced from PubChem (CID 84731980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).