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

C14H16FN3 — CID 139225373

IUPAC1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine
SMILESFc1ccc(-c2cc(N3CCCCC3)n[nH]2)cc1
InChIInChI=1S/C14H16FN3/c15-12-6-4-11(5-7-12)13-10-14(17-16-13)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)
InChIKeyVMEAUQJAUJXDLJ-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.21
Rot. Bonds2

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

1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine (PubChem CID 139225373) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine
PubChem CID139225373
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine
SMILESFc1ccc(-c2cc(N3CCCCC3)n[nH]2)cc1
InChIInChI=1S/C14H16FN3/c15-12-6-4-11(5-7-12)13-10-14(17-16-13)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)
InChIKeyVMEAUQJAUJXDLJ-UHFFFAOYSA-N
XLogP3.21
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine?
The IUPAC name of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine (CID 139225373) is 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine is Fc1ccc(-c2cc(N3CCCCC3)n[nH]2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine?
The InChIKey is VMEAUQJAUJXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-6-4-11(5-7-12)13-10-14(17-16-13)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17).
What are the key properties of 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine?
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine has a molecular weight of 245.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidine is sourced from PubChem (CID 139225373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).