4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine

C13H18F2IN3 — CID 90286618

IUPAC4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine
SMILESFC1(F)CCC(n2nc(I)cc2C2CCNCC2)C1
InChIInChI=1S/C13H18F2IN3/c14-13(15)4-1-10(8-13)19-11(7-12(16)18-19)9-2-5-17-6-3-9/h7,9-10,17H,1-6,8H2
InChIKeyBHDNBQRULNTDFL-UHFFFAOYSA-N
MW381.21 g/mol
LogP3.32
Rot. Bonds2

About 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine

4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine (PubChem CID 90286618) has the molecular formula C13H18F2IN3 and a molecular weight of 381.21 g/mol. Its IUPAC name is 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine
PubChem CID90286618
Molecular FormulaC13H18F2IN3
Molecular Weight381.21 g/mol
Exact Mass381.05
IUPAC Name4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine
SMILESFC1(F)CCC(n2nc(I)cc2C2CCNCC2)C1
InChIInChI=1S/C13H18F2IN3/c14-13(15)4-1-10(8-13)19-11(7-12(16)18-19)9-2-5-17-6-3-9/h7,9-10,17H,1-6,8H2
InChIKeyBHDNBQRULNTDFL-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.21
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine?
The IUPAC name of 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine (CID 90286618) is 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine?
The canonical SMILES for 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine is FC1(F)CCC(n2nc(I)cc2C2CCNCC2)C1.
What is the InChIKey of 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine?
The InChIKey is BHDNBQRULNTDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2IN3/c14-13(15)4-1-10(8-13)19-11(7-12(16)18-19)9-2-5-17-6-3-9/h7,9-10,17H,1-6,8H2.
What are the key properties of 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine?
4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine has a molecular weight of 381.21 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3-difluorocyclopentyl)-3-iodopyrazol-5-yl]piperidine is sourced from PubChem (CID 90286618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).