4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine

C23H27N3O2 — CID 145464422

IUPAC4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine
SMILESCOc1ccc(-c2c(C)c(C3CCNCC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H27N3O2/c1-16-22(17-12-14-24-15-13-17)25-26(19-6-10-21(28-3)11-7-19)23(16)18-4-8-20(27-2)9-5-18/h4-11,17,24H,12-15H2,1-3H3
InChIKeyXBYGCLOOTIUCSA-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.33
Rot. Bonds5

About 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine

4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine (PubChem CID 145464422) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine
PubChem CID145464422
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine
SMILESCOc1ccc(-c2c(C)c(C3CCNCC3)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H27N3O2/c1-16-22(17-12-14-24-15-13-17)25-26(19-6-10-21(28-3)11-7-19)23(16)18-4-8-20(27-2)9-5-18/h4-11,17,24H,12-15H2,1-3H3
InChIKeyXBYGCLOOTIUCSA-UHFFFAOYSA-N
XLogP4.33
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-4,6-dimethyl-5-piperidin-4-ylpyrimidine
CID 115069907
4-(4-ethyl-1,5-diphenylpyrazol-3-yl)piperidine
CID 177339507
3-[1-[hydroxy(methyl)carbamoyl]piperidin-4-yl]-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole-4-carboxylic acid
CID 145464425
4-[4-amino-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 145464423
3-cyclohexyl-1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3574521
tert-butyl 4-[4-fluoro-1,5-bis(4-methoxyphenyl)pyrazol-3-yl]piperidine-1-carboxylate
CID 145464557
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 59486734
1-cyclohexyl-3-(4-methoxyphenyl)-4-methylcyclopenta[d]pyridazine
CID 102523054
4-[1,5-bis(4-methoxyphenyl)-4-(trifluoromethyl)pyrazol-3-yl]piperidin-4-ol
CID 145464533
N-(4-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953848
4-[2-(4-methoxyphenyl)phenyl]piperidine
CID 86226215
2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308679

Frequently Asked Questions

What is the IUPAC name of 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine?
The IUPAC name of 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine (CID 145464422) is 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine?
The canonical SMILES for 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine is COc1ccc(-c2c(C)c(C3CCNCC3)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine?
The InChIKey is XBYGCLOOTIUCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-22(17-12-14-24-15-13-17)25-26(19-6-10-21(28-3)11-7-19)23(16)18-4-8-20(27-2)9-5-18/h4-11,17,24H,12-15H2,1-3H3.
What are the key properties of 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine?
4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine has a molecular weight of 377.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,5-bis(4-methoxyphenyl)-4-methylpyrazol-3-yl]piperidine is sourced from PubChem (CID 145464422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).