4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine

C14H16FN3 — CID 66490831

IUPAC4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(-c2cc(C3CCNCC3)[nH]n2)c1
InChIInChI=1S/C14H16FN3/c15-12-3-1-2-11(8-12)14-9-13(17-18-14)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18)
InChIKeyLLPLIJFVRYFWOA-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.68
Rot. Bonds2

About 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine

4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 66490831) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID66490831
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESFc1cccc(-c2cc(C3CCNCC3)[nH]n2)c1
InChIInChI=1S/C14H16FN3/c15-12-3-1-2-11(8-12)14-9-13(17-18-14)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18)
InChIKeyLLPLIJFVRYFWOA-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine (CID 66490831) is 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is Fc1cccc(-c2cc(C3CCNCC3)[nH]n2)c1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is LLPLIJFVRYFWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-3-1-2-11(8-12)14-9-13(17-18-14)10-4-6-16-7-5-10/h1-3,8-10,16H,4-7H2,(H,17,18).
What are the key properties of 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine?
4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 245.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 66490831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).