[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C17H23N3O2S — CID 70848747

IUPAC[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C17H23N3O2S/c1-17(2,22)11-12-5-7-20(8-6-12)16(21)14-10-13(18-19-14)15-4-3-9-23-15/h3-4,9-10,12,22H,5-8,11H2,1-2H3,(H,18,19)
InChIKeyJYQPBXRHCVMOOF-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.15
Rot. Bonds4

About [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 70848747) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID70848747
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C17H23N3O2S/c1-17(2,22)11-12-5-7-20(8-6-12)16(21)14-10-13(18-19-14)15-4-3-9-23-15/h3-4,9-10,12,22H,5-8,11H2,1-2H3,(H,18,19)
InChIKeyJYQPBXRHCVMOOF-UHFFFAOYSA-N
XLogP3.15
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 90493607
[4-(1-aminoethyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 119516719
1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355098
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120817636
N-benzyl-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 78887605
[4-(2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 46856970
[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119661567
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 78903013
3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156684
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 126854198
pyridin-3-yl-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20911024
3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159966

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 70848747) is [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is CC(C)(O)CC1CCN(C(=O)c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is JYQPBXRHCVMOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,22)11-12-5-7-20(8-6-12)16(21)14-10-13(18-19-14)15-4-3-9-23-15/h3-4,9-10,12,22H,5-8,11H2,1-2H3,(H,18,19).
What are the key properties of [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 333.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 70848747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).