4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine

C9H15N3O — CID 46204222

IUPAC4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine
SMILESCc1nn(O)cc1C1CCNCC1
InChIInChI=1S/C9H15N3O/c1-7-9(6-12(13)11-7)8-2-4-10-5-3-8/h6,8,10,13H,2-5H2,1H3
InChIKeyXREUWQRXKYLCEK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.90
Rot. Bonds1

About 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine

4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine (PubChem CID 46204222) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine
PubChem CID46204222
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine
SMILESCc1nn(O)cc1C1CCNCC1
InChIInChI=1S/C9H15N3O/c1-7-9(6-12(13)11-7)8-2-4-10-5-3-8/h6,8,10,13H,2-5H2,1H3
InChIKeyXREUWQRXKYLCEK-UHFFFAOYSA-N
XLogP0.90
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(1-Hydroxypyrazol-4-yl)piperidine
CID 46203882
4-(3-methyl-1H-pyrazol-4-yl)piperidine
CID 82414450
4-(1-Hydroxy-3-methylpyrazol-4-yl)piperidine;hydrobromide
CID 49860108
4-(1-Hydroxypyrazol-4-yl)piperidine;hydrochloride
CID 49861352
4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
(3-Ethyl-1-hydroxypyrazol-4-yl)methanamine
CID 71561439
1-Hydroxy-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 71563270
2-Hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 71563272
3-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56741722
4-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56750914
2-Hydroxy-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium bromide
CID 139248125
4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperidine
CID 82661488

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine?
The IUPAC name of 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine (CID 46204222) is 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine.
What is the SMILES notation for 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine?
The canonical SMILES for 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine is Cc1nn(O)cc1C1CCNCC1.
What is the InChIKey of 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine?
The InChIKey is XREUWQRXKYLCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-9(6-12(13)11-7)8-2-4-10-5-3-8/h6,8,10,13H,2-5H2,1H3.
What are the key properties of 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine?
4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine has a molecular weight of 181.24 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-3-methylpyrazol-4-yl)piperidine is sourced from PubChem (CID 46204222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).