4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine

C10H16FN3 — CID 90455489

IUPAC4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine
SMILESCCc1cnn(C2CCNCC2F)c1
InChIInChI=1S/C10H16FN3/c1-2-8-5-13-14(7-8)10-3-4-12-6-9(10)11/h5,7,9-10,12H,2-4,6H2,1H3
InChIKeyAXHRANSDVLMNOV-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.32
Rot. Bonds2

About 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine

4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine (PubChem CID 90455489) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine.

Molecular Properties

Compound Name4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine
PubChem CID90455489
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine
SMILESCCc1cnn(C2CCNCC2F)c1
InChIInChI=1S/C10H16FN3/c1-2-8-5-13-14(7-8)10-3-4-12-6-9(10)11/h5,7,9-10,12H,2-4,6H2,1H3
InChIKeyAXHRANSDVLMNOV-UHFFFAOYSA-N
XLogP1.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine?
The IUPAC name of 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine (CID 90455489) is 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine.
What is the SMILES notation for 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine?
The canonical SMILES for 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine is CCc1cnn(C2CCNCC2F)c1.
What is the InChIKey of 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine?
The InChIKey is AXHRANSDVLMNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-2-8-5-13-14(7-8)10-3-4-12-6-9(10)11/h5,7,9-10,12H,2-4,6H2,1H3.
What are the key properties of 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine?
4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine has a molecular weight of 197.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpyrazol-1-yl)-3-fluoropiperidine is sourced from PubChem (CID 90455489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).