4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine

C13H22FN3 — CID 176692331

IUPAC4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine
SMILESCCn1ncc(F)c1C1CCN(C(C)C)CC1
InChIInChI=1S/C13H22FN3/c1-4-17-13(12(14)9-15-17)11-5-7-16(8-6-11)10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyLALGEQJUIQJGAO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.63
Rot. Bonds3

About 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine

4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine (PubChem CID 176692331) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine
PubChem CID176692331
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine
SMILESCCn1ncc(F)c1C1CCN(C(C)C)CC1
InChIInChI=1S/C13H22FN3/c1-4-17-13(12(14)9-15-17)11-5-7-16(8-6-11)10(2)3/h9-11H,4-8H2,1-3H3
InChIKeyLALGEQJUIQJGAO-UHFFFAOYSA-N
XLogP2.63
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine (CID 176692331) is 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine is CCn1ncc(F)c1C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine?
The InChIKey is LALGEQJUIQJGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-4-17-13(12(14)9-15-17)11-5-7-16(8-6-11)10(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine?
4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine has a molecular weight of 239.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4-fluoropyrazol-5-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 176692331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).