(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C22H23N3O2 — CID 56752151

IUPAC(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)c(O)c1
InChIInChI=1S/C22H23N3O2/c1-15-7-8-18(20(26)13-15)22(27)25-11-9-17(10-12-25)21-19(14-23-24-21)16-5-3-2-4-6-16/h2-8,13-14,17,26H,9-12H2,1H3,(H,23,24)
InChIKeyCAKQQNMFOXKJBI-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.11
Rot. Bonds3

About (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56752151) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID56752151
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)c(O)c1
InChIInChI=1S/C22H23N3O2/c1-15-7-8-18(20(26)13-15)22(27)25-11-9-17(10-12-25)21-19(14-23-24-21)16-5-3-2-4-6-16/h2-8,13-14,17,26H,9-12H2,1H3,(H,23,24)
InChIKeyCAKQQNMFOXKJBI-UHFFFAOYSA-N
XLogP4.11
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-6-methyl-3-[4-(4-phenyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56758939
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56745742
(2S)-2-hydroxy-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95197316
(2,6-dihydroxyphenyl)-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56752335
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 139011392
3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 56759715
4-hydroxy-5-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56747717
2-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]acetic acid
CID 56741273
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
(2,2-dimethyloxan-4-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 45210369
(3-fluoro-4-pyridinyl)-[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56748447
[3-[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56738385

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56752151) is (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is CAKQQNMFOXKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-7-8-18(20(26)13-15)22(27)25-11-9-17(10-12-25)21-19(14-23-24-21)16-5-3-2-4-6-16/h2-8,13-14,17,26H,9-12H2,1H3,(H,23,24).
What are the key properties of (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 361.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56752151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).