1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole

C12H16F2N2 — CID 141189279

IUPAC1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole
SMILESFC(F)=CCC(C1CCCC1)n1cccn1
InChIInChI=1S/C12H16F2N2/c13-12(14)7-6-11(10-4-1-2-5-10)16-9-3-8-15-16/h3,7-11H,1-2,4-6H2
InChIKeyCYNRIBAHEKGTDY-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.78
Rot. Bonds4

About 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole

1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole (PubChem CID 141189279) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole.

Molecular Properties

Compound Name1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole
PubChem CID141189279
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole
SMILESFC(F)=CCC(C1CCCC1)n1cccn1
InChIInChI=1S/C12H16F2N2/c13-12(14)7-6-11(10-4-1-2-5-10)16-9-3-8-15-16/h3,7-11H,1-2,4-6H2
InChIKeyCYNRIBAHEKGTDY-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole?
The IUPAC name of 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole (CID 141189279) is 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole.
What is the SMILES notation for 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole?
The canonical SMILES for 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole is FC(F)=CCC(C1CCCC1)n1cccn1.
What is the InChIKey of 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole?
The InChIKey is CYNRIBAHEKGTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-12(14)7-6-11(10-4-1-2-5-10)16-9-3-8-15-16/h3,7-11H,1-2,4-6H2.
What are the key properties of 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole?
1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole has a molecular weight of 226.27 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazole is sourced from PubChem (CID 141189279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).