3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol

C26H27N3O2 — CID 45240235

IUPAC3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
SMILESCOc1cccc(O)c1CN1CCCC(c2[nH]ncc2-c2cccc3ccccc23)C1
InChIInChI=1S/C26H27N3O2/c1-31-25-13-5-12-24(30)23(25)17-29-14-6-9-19(16-29)26-22(15-27-28-26)21-11-4-8-18-7-2-3-10-20(18)21/h2-5,7-8,10-13,15,19,30H,6,9,14,16-17H2,1H3,(H,27,28)
InChIKeyFLSFNOGHRZSFOP-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.32
Rot. Bonds5

About 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol

3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol (PubChem CID 45240235) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
PubChem CID45240235
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
SMILESCOc1cccc(O)c1CN1CCCC(c2[nH]ncc2-c2cccc3ccccc23)C1
InChIInChI=1S/C26H27N3O2/c1-31-25-13-5-12-24(30)23(25)17-29-14-6-9-19(16-29)26-22(15-27-28-26)21-11-4-8-18-7-2-3-10-20(18)21/h2-5,7-8,10-13,15,19,30H,6,9,14,16-17H2,1H3,(H,27,28)
InChIKeyFLSFNOGHRZSFOP-UHFFFAOYSA-N
XLogP5.32
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-3-methoxyphenol
CID 45232844
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992
2-[[3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 45228936
2-[[(3R)-3-[4-(2,5-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 42472821
2-[[3-[4-(2,4-difluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]phenol
CID 45168258
5-[[(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-2-methoxyphenol
CID 42276354
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine
CID 42210375
2-[[(3R)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methoxyphenol
CID 42482527
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 42275447
3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(2,4,5-trimethoxyphenyl)methyl]piperidine
CID 45238720
(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 26350738

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol (CID 45240235) is 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol is COc1cccc(O)c1CN1CCCC(c2[nH]ncc2-c2cccc3ccccc23)C1.
What is the InChIKey of 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
The InChIKey is FLSFNOGHRZSFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-31-25-13-5-12-24(30)23(25)17-29-14-6-9-19(16-29)26-22(15-27-28-26)21-11-4-8-18-7-2-3-10-20(18)21/h2-5,7-8,10-13,15,19,30H,6,9,14,16-17H2,1H3,(H,27,28).
What are the key properties of 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol?
3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol has a molecular weight of 413.52 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[3-(4-naphthalen-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 45240235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).