[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone

C20H20FN3O2 — CID 42165042

IUPAC[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1
InChIInChI=1S/C20H20FN3O2/c1-13-7-9-26-19(13)20(25)24-8-3-5-15(12-24)18-17(11-22-23-18)14-4-2-6-16(21)10-14/h2,4,6-7,9-11,15H,3,5,8,12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyRSJOIUHZPQVDJA-HNNXBMFYSA-N
MW353.40 g/mol
LogP4.14
Rot. Bonds3

About [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone

[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 42165042) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID42165042
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1
InChIInChI=1S/C20H20FN3O2/c1-13-7-9-26-19(13)20(25)24-8-3-5-15(12-24)18-17(11-22-23-18)14-4-2-6-16(21)10-14/h2,4,6-7,9-11,15H,3,5,8,12H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyRSJOIUHZPQVDJA-HNNXBMFYSA-N
XLogP4.14
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,2-dimethylpropyl)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26346642
1-[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 42431396
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 70722084
2-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5-hydroxypyran-4-one
CID 56738820
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
CID 42482527
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56720943
1-[5-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 56760118
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[(3R)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 42213954

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone (CID 42165042) is [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1.
What is the InChIKey of [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is RSJOIUHZPQVDJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-7-9-26-19(13)20(25)24-8-3-5-15(12-24)18-17(11-22-23-18)14-4-2-6-16(21)10-14/h2,4,6-7,9-11,15H,3,5,8,12H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone?
[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 353.40 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 42165042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).