[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone

C23H25N3O2 — CID 136757581

IUPAC[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2O)n[nH]1)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-22-12-5-4-11-19(22)20-16-21(25-24-20)23(28)26-15-7-6-10-18(26)14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,16,18,27H,6-7,10,13-15H2,(H,24,25)/t18-/m1/s1
InChIKeyCURAMWKLMHUOQG-GOSISDBHSA-N
MW375.47 g/mol
LogP4.41
Rot. Bonds5

About [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone

[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 136757581) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID136757581
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2O)n[nH]1)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-22-12-5-4-11-19(22)20-16-21(25-24-20)23(28)26-15-7-6-10-18(26)14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,16,18,27H,6-7,10,13-15H2,(H,24,25)/t18-/m1/s1
InChIKeyCURAMWKLMHUOQG-GOSISDBHSA-N
XLogP4.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-phenylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 70780089
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96577939
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70756992
[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97127200
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 97014540
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 95851475
1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356183
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 70786804
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone (CID 136757581) is [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1cc(-c2ccccc2O)n[nH]1)N1CCCC[C@@H]1CCc1ccccc1.
What is the InChIKey of [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is CURAMWKLMHUOQG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-12-5-4-11-19(22)20-16-21(25-24-20)23(28)26-15-7-6-10-18(26)14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,16,18,27H,6-7,10,13-15H2,(H,24,25)/t18-/m1/s1.
What are the key properties of [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 136757581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).