(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine

C25H28N6O — CID 26406111

IUPAC(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](c3nncn3C)C2)c1
InChIInChI=1S/C25H28N6O/c1-29-18-26-27-25(29)20-9-7-13-30(15-20)16-21-17-31(22-10-4-3-5-11-22)28-24(21)19-8-6-12-23(14-19)32-2/h3-6,8,10-12,14,17-18,20H,7,9,13,15-16H2,1-2H3/t20-/m1/s1
InChIKeyWYLJRLMTFUZIFM-HXUWFJFHSA-N
MW428.54 g/mol
LogP4.06
Rot. Bonds6

About (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine

(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 26406111) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID26406111
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](c3nncn3C)C2)c1
InChIInChI=1S/C25H28N6O/c1-29-18-26-27-25(29)20-9-7-13-30(15-20)16-21-17-31(22-10-4-3-5-11-22)28-24(21)19-8-6-12-23(14-19)32-2/h3-6,8,10-12,14,17-18,20H,7,9,13,15-16H2,1-2H3/t20-/m1/s1
InChIKeyWYLJRLMTFUZIFM-HXUWFJFHSA-N
XLogP4.06
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine with MolForge

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Related Compounds

(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 95876935
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 70711620
(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 51634375
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
[1-[3-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]propyl]piperidin-2-yl]methanol
CID 56852816
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine
CID 75099598
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 26406111) is (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@H](c3nncn3C)C2)c1.
What is the InChIKey of (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is WYLJRLMTFUZIFM-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N6O/c1-29-18-26-27-25(29)20-9-7-13-30(15-20)16-21-17-31(22-10-4-3-5-11-22)28-24(21)19-8-6-12-23(14-19)32-2/h3-6,8,10-12,14,17-18,20H,7,9,13,15-16H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 428.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 26406111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).