[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C18H22FN3O2 — CID 110886741

IUPAC[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCCC(CO)C2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c1-2-17-16(18(24)21-9-3-4-13(11-21)12-23)10-20-22(17)15-7-5-14(19)6-8-15/h5-8,10,13,23H,2-4,9,11-12H2,1H3
InChIKeyGBGJSYNQZYINFK-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.42
Rot. Bonds4

About [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110886741) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110886741
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCCC(CO)C2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c1-2-17-16(18(24)21-9-3-4-13(11-21)12-23)10-20-22(17)15-7-5-14(19)6-8-15/h5-8,10,13,23H,2-4,9,11-12H2,1H3
InChIKeyGBGJSYNQZYINFK-UHFFFAOYSA-N
XLogP2.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173520
(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone
CID 46589101
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052
N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480273
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815923
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815469
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 126773665
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 71897836
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43430927
ethyl 1-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 112822244
[4-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 51133320
[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119032264

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110886741) is [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is CCc1c(C(=O)N2CCCC(CO)C2)cnn1-c1ccc(F)cc1.
What is the InChIKey of [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is GBGJSYNQZYINFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-2-17-16(18(24)21-9-3-4-13(11-21)12-23)10-20-22(17)15-7-5-14(19)6-8-15/h5-8,10,13,23H,2-4,9,11-12H2,1H3.
What are the key properties of [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110886741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).