4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine

C13H21F2N3 — CID 129227656

IUPAC4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(n2cc(C(C)(F)F)cn2)CC1
InChIInChI=1S/C13H21F2N3/c1-10(2)17-6-4-12(5-7-17)18-9-11(8-16-18)13(3,14)15/h8-10,12H,4-7H2,1-3H3
InChIKeyJIPRYOWOLNYBQF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.04
Rot. Bonds3

About 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine

4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine (PubChem CID 129227656) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine
PubChem CID129227656
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(n2cc(C(C)(F)F)cn2)CC1
InChIInChI=1S/C13H21F2N3/c1-10(2)17-6-4-12(5-7-17)18-9-11(8-16-18)13(3,14)15/h8-10,12H,4-7H2,1-3H3
InChIKeyJIPRYOWOLNYBQF-UHFFFAOYSA-N
XLogP3.04
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine (CID 129227656) is 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine is CC(C)N1CCC(n2cc(C(C)(F)F)cn2)CC1.
What is the InChIKey of 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine?
The InChIKey is JIPRYOWOLNYBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-10(2)17-6-4-12(5-7-17)18-9-11(8-16-18)13(3,14)15/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine?
4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine has a molecular weight of 257.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 129227656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).