[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol

C24H29N3O — CID 26406315

IUPAC[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESCc1ccc(C)c(-n2cc(CN3CCC[C@@H](CO)C3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C24H29N3O/c1-18-10-11-19(2)23(13-18)27-16-22(15-26-12-6-7-20(14-26)17-28)24(25-27)21-8-4-3-5-9-21/h3-5,8-11,13,16,20,28H,6-7,12,14-15,17H2,1-2H3/t20-/m1/s1
InChIKeyFCIRKEGGDHQIHI-HXUWFJFHSA-N
MW375.52 g/mol
LogP4.36
Rot. Bonds5

About [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol

[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol (PubChem CID 26406315) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
PubChem CID26406315
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESCc1ccc(C)c(-n2cc(CN3CCC[C@@H](CO)C3)c(-c3ccccc3)n2)c1
InChIInChI=1S/C24H29N3O/c1-18-10-11-19(2)23(13-18)27-16-22(15-26-12-6-7-20(14-26)17-28)24(25-27)21-8-4-3-5-9-21/h3-5,8-11,13,16,20,28H,6-7,12,14-15,17H2,1-2H3/t20-/m1/s1
InChIKeyFCIRKEGGDHQIHI-HXUWFJFHSA-N
XLogP4.36
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]morpholine
CID 28697636
2-[4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine
CID 42595844
2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol
CID 42347304
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol
CID 50852233
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 45222602
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
CID 60661917
N-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 45218162
[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methanol
CID 111442430
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol (CID 26406315) is [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol is Cc1ccc(C)c(-n2cc(CN3CCC[C@@H](CO)C3)c(-c3ccccc3)n2)c1.
What is the InChIKey of [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is FCIRKEGGDHQIHI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-10-11-19(2)23(13-18)27-16-22(15-26-12-6-7-20(14-26)17-28)24(25-27)21-8-4-3-5-9-21/h3-5,8-11,13,16,20,28H,6-7,12,14-15,17H2,1-2H3/t20-/m1/s1.
What are the key properties of [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol?
[(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 375.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 26406315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).