[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone

C23H25N3O2 — CID 162638355

IUPAC[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone
SMILESCc1cc(C)n(-c2cccc(C(=O)N3CC[C@H](c4ccccc4)[C@H](O)C3)c2)n1
InChIInChI=1S/C23H25N3O2/c1-16-13-17(2)26(24-16)20-10-6-9-19(14-20)23(28)25-12-11-21(22(27)15-25)18-7-4-3-5-8-18/h3-10,13-14,21-22,27H,11-12,15H2,1-2H3/t21-,22-/m1/s1
InChIKeyJOENKGPOUSRFGG-FGZHOGPDSA-N
MW375.47 g/mol
LogP3.48
Rot. Bonds3

About [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone

[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone (PubChem CID 162638355) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone
PubChem CID162638355
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone
SMILESCc1cc(C)n(-c2cccc(C(=O)N3CC[C@H](c4ccccc4)[C@H](O)C3)c2)n1
InChIInChI=1S/C23H25N3O2/c1-16-13-17(2)26(24-16)20-10-6-9-19(14-20)23(28)25-12-11-21(22(27)15-25)18-7-4-3-5-8-18/h3-10,13-14,21-22,27H,11-12,15H2,1-2H3/t21-,22-/m1/s1
InChIKeyJOENKGPOUSRFGG-FGZHOGPDSA-N
XLogP3.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
1-[(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 124960343
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[6-(isoquinolin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110149173
(6S)-4-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-(3-methoxyphenyl)-6-methylpiperazin-2-one
CID 26325845
CID 58656859
CID 58656859
10-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110151048
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110149967
3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 163306352
N-[(1S,3aR,7aR)-2-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-phenyl-3,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-3a-yl]acetamide
CID 110151541
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(6S)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125013181
[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[3-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 124961912

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone (CID 162638355) is [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone is Cc1cc(C)n(-c2cccc(C(=O)N3CC[C@H](c4ccccc4)[C@H](O)C3)c2)n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone?
The InChIKey is JOENKGPOUSRFGG-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-13-17(2)26(24-16)20-10-6-9-19(14-20)23(28)25-12-11-21(22(27)15-25)18-7-4-3-5-8-18/h3-10,13-14,21-22,27H,11-12,15H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone?
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S,4R)-3-hydroxy-4-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 162638355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).