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

C10H16FN3 — CID 112563242

IUPAC4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine
SMILESCCn1cc(C2(F)CCNCC2)cn1
InChIInChI=1S/C10H16FN3/c1-2-14-8-9(7-13-14)10(11)3-5-12-6-4-10/h7-8,12H,2-6H2,1H3
InChIKeyXKBBOGWYVZZYIF-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.45
Rot. Bonds2

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

4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine (PubChem CID 112563242) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine
PubChem CID112563242
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine
SMILESCCn1cc(C2(F)CCNCC2)cn1
InChIInChI=1S/C10H16FN3/c1-2-14-8-9(7-13-14)10(11)3-5-12-6-4-10/h7-8,12H,2-6H2,1H3
InChIKeyXKBBOGWYVZZYIF-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-(3-fluoropyrrolidin-3-yl)pyrazole
CID 112564397
2-(1-ethylpyrazol-4-yl)-2-propan-2-ylazepane
CID 79117229
4-[(1-ethylpyrazol-4-yl)oxymethyl]piperidin-4-ol
CID 114608497
(3R)-3-(1-ethylpyrazol-4-yl)-2,7-diazaspiro[3.5]nonane
CID 125458334
1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine
CID 80705361
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680
1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300
1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754656
4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine
CID 114667670
4-fluoro-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67540826
2-[(1-ethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907844
1-(1-ethylpyrazol-4-yl)-3,5-dimethylcyclohexan-1-ol
CID 64737522

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine (CID 112563242) is 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine is CCn1cc(C2(F)CCNCC2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine?
The InChIKey is XKBBOGWYVZZYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-2-14-8-9(7-13-14)10(11)3-5-12-6-4-10/h7-8,12H,2-6H2,1H3.
What are the key properties of 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine?
4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine has a molecular weight of 197.26 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-4-fluoropiperidine is sourced from PubChem (CID 112563242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).