[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone

C19H23FN4O3 — CID 56866332

IUPAC[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)[C@H](O)C1
InChIInChI=1S/C19H23FN4O3/c20-14-3-1-2-13(10-14)18-15(11-21-22-18)19(26)24-5-4-16(17(25)12-24)23-6-8-27-9-7-23/h1-3,10-11,16-17,25H,4-9,12H2,(H,21,22)/t16-,17-/m1/s1
InChIKeyGGCQKACTHCOWPK-IAGOWNOFSA-N
MW374.42 g/mol
LogP1.12
Rot. Bonds3

About [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone (PubChem CID 56866332) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
PubChem CID56866332
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)[C@H](O)C1
InChIInChI=1S/C19H23FN4O3/c20-14-3-1-2-13(10-14)18-15(11-21-22-18)19(26)24-5-4-16(17(25)12-24)23-6-8-27-9-7-23/h1-3,10-11,16-17,25H,4-9,12H2,(H,21,22)/t16-,17-/m1/s1
InChIKeyGGCQKACTHCOWPK-IAGOWNOFSA-N
XLogP1.12
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 45218235
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CID 70771223
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 70726778
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
(2,4-difluorophenyl)-[(4S,5S)-4-hydroxy-5-morpholin-4-ylazepan-1-yl]methanone
CID 118741490
3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
CID 92568482
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
2-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 154565308
(4-aminopiperidin-1-yl)-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 119375417
1'-[5-(3-fluorophenyl)-1H-pyrazole-4-carbonyl]spiro[1H-indole-3,4'-piperidine]-2-one
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Frequently Asked Questions

What is the IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone (CID 56866332) is [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone is O=C(c1cn[nH]c1-c1cccc(F)c1)N1CC[C@@H](N2CCOCC2)[C@H](O)C1.
What is the InChIKey of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone?
The InChIKey is GGCQKACTHCOWPK-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H23FN4O3/c20-14-3-1-2-13(10-14)18-15(11-21-22-18)19(26)24-5-4-16(17(25)12-24)23-6-8-27-9-7-23/h1-3,10-11,16-17,25H,4-9,12H2,(H,21,22)/t16-,17-/m1/s1.
What are the key properties of [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone?
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone has a molecular weight of 374.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 56866332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).