4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine

C21H25N3O — CID 177245975

IUPAC4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine
SMILESCCc1ccc2ccc(Cc3nn(O)cc3C3CCNCC3)cc2c1
InChIInChI=1S/C21H25N3O/c1-2-15-3-5-17-6-4-16(12-19(17)11-15)13-21-20(14-24(25)23-21)18-7-9-22-10-8-18/h3-6,11-12,14,18,22,25H,2,7-10,13H2,1H3
InChIKeyDQXVBYNFESOXCR-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.89
Rot. Bonds4

About 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine

4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine (PubChem CID 177245975) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine
PubChem CID177245975
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine
SMILESCCc1ccc2ccc(Cc3nn(O)cc3C3CCNCC3)cc2c1
InChIInChI=1S/C21H25N3O/c1-2-15-3-5-17-6-4-16(12-19(17)11-15)13-21-20(14-24(25)23-21)18-7-9-22-10-8-18/h3-6,11-12,14,18,22,25H,2,7-10,13H2,1H3
InChIKeyDQXVBYNFESOXCR-UHFFFAOYSA-N
XLogP3.89
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.89
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-[3-[(4-fluoro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090460
4-[3-[(4-chloro-3-methylphenyl)methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090482
4-(3-benzyl-1-hydroxypyrazol-4-yl)piperidine
CID 46204538
4-[3-[[4-(3,5-difluorophenyl)phenyl]methyl]-1-hydroxypyrazol-4-yl]piperidine
CID 166090519
4-(5-ethyl-2-propan-2-ylphenyl)piperidine
CID 117335152
4-(3-ethyl-1-phenylpyrazol-4-yl)piperidine
CID 174757890
4-(6-ethyl-1-benzothiophen-3-yl)piperidine
CID 18797308
6-ethyl-2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84643398
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
5-ethyl-1-(2-methylprop-2-enyl)-2-piperidin-4-ylbenzimidazole
CID 82333752
4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 68755908
2,2-dimethyl-1-[4-piperidin-4-yl-3-(2H-tetrazol-5-ylmethyl)pyrazol-1-yl]propan-1-one
CID 146461065

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The IUPAC name of 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine (CID 177245975) is 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The canonical SMILES for 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine is CCc1ccc2ccc(Cc3nn(O)cc3C3CCNCC3)cc2c1.
What is the InChIKey of 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
The InChIKey is DQXVBYNFESOXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-15-3-5-17-6-4-16(12-19(17)11-15)13-21-20(14-24(25)23-21)18-7-9-22-10-8-18/h3-6,11-12,14,18,22,25H,2,7-10,13H2,1H3.
What are the key properties of 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine?
4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine has a molecular weight of 335.45 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(7-ethylnaphthalen-2-yl)methyl]-1-hydroxypyrazol-4-yl]piperidine is sourced from PubChem (CID 177245975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).