(1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone

C19H24FN3O — CID 45220816

IUPAC(1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(CCc3ccccc3F)C2)cn1
InChIInChI=1S/C19H24FN3O/c1-2-23-14-17(12-21-23)19(24)22-11-5-6-15(13-22)9-10-16-7-3-4-8-18(16)20/h3-4,7-8,12,14-15H,2,5-6,9-11,13H2,1H3
InChIKeyHKSKHMIDHNEOPE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.53
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 45220816) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID45220816
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCCC(CCc3ccccc3F)C2)cn1
InChIInChI=1S/C19H24FN3O/c1-2-23-14-17(12-21-23)19(24)22-11-5-6-15(13-22)9-10-16-7-3-4-8-18(16)20/h3-4,7-8,12,14-15H,2,5-6,9-11,13H2,1H3
InChIKeyHKSKHMIDHNEOPE-UHFFFAOYSA-N
XLogP3.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}(2-fluorobiphenyl-4-yl)methanone
CID 16190479
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201
[1-[(1-Ethyl-4-pyrazolyl)methyl]-3-piperidinyl]-[3-(trifluoromethyl)phenyl]methanone
CID 44629407
3-[2-(2,4-difluorophenyl)ethyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine
CID 45227951
N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N,1-diisopropyl-1H-pyrazole-4-carboxamide
CID 49862377
[1-[(1-Propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 57399514
N-[(2,6-difluorophenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168290075

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 45220816) is (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCCC(CCc3ccccc3F)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is HKSKHMIDHNEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-23-14-17(12-21-23)19(24)22-11-5-6-15(13-22)9-10-16-7-3-4-8-18(16)20/h3-4,7-8,12,14-15H,2,5-6,9-11,13H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 329.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 45220816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).