3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine

C9H13F2N3 — CID 164920759

IUPAC3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine
SMILESCc1ccnn1C1CCNCC1(F)F
InChIInChI=1S/C9H13F2N3/c1-7-2-5-13-14(7)8-3-4-12-6-9(8,10)11/h2,5,8,12H,3-4,6H2,1H3
InChIKeyKJZFTRNAZXGBJQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.36
Rot. Bonds1

About 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine

3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine (PubChem CID 164920759) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine
PubChem CID164920759
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine
SMILESCc1ccnn1C1CCNCC1(F)F
InChIInChI=1S/C9H13F2N3/c1-7-2-5-13-14(7)8-3-4-12-6-9(8,10)11/h2,5,8,12H,3-4,6H2,1H3
InChIKeyKJZFTRNAZXGBJQ-UHFFFAOYSA-N
XLogP1.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine?
The IUPAC name of 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine (CID 164920759) is 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine?
The canonical SMILES for 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine is Cc1ccnn1C1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine?
The InChIKey is KJZFTRNAZXGBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-7-2-5-13-14(7)8-3-4-12-6-9(8,10)11/h2,5,8,12H,3-4,6H2,1H3.
What are the key properties of 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine?
3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine has a molecular weight of 201.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(5-methylpyrazol-1-yl)piperidine is sourced from PubChem (CID 164920759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).