2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one

C19H25N3O2 — CID 95210706

IUPAC2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)O)C2)cc1
InChIInChI=1S/C19H25N3O2/c1-13-6-8-14(9-7-13)16-11-20-21-17(16)15-5-4-10-22(12-15)18(23)19(2,3)24/h6-9,11,15,24H,4-5,10,12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyZWZYPXJAPRIRJZ-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.86
Rot. Bonds3

About 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one

2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one (PubChem CID 95210706) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
PubChem CID95210706
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)O)C2)cc1
InChIInChI=1S/C19H25N3O2/c1-13-6-8-14(9-7-13)16-11-20-21-17(16)15-5-4-10-22(12-15)18(23)19(2,3)24/h6-9,11,15,24H,4-5,10,12H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyZWZYPXJAPRIRJZ-HNNXBMFYSA-N
XLogP2.86
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one (CID 95210706) is 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one is Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)O)C2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ZWZYPXJAPRIRJZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-6-8-14(9-7-13)16-11-20-21-17(16)15-5-4-10-22(12-15)18(23)19(2,3)24/h6-9,11,15,24H,4-5,10,12H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one?
2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95210706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).