1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol

C22H24ClN3O2 — CID 70711620

IUPAC1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-n2cc(CN3CCCC(O)C3)c(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-28-19-10-8-17(9-11-19)26-14-16(13-25-12-4-5-18(27)15-25)22(24-26)20-6-2-3-7-21(20)23/h2-3,6-11,14,18,27H,4-5,12-13,15H2,1H3
InChIKeySKZLTZWMMLFBAL-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.16
Rot. Bonds5

About 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol

1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (PubChem CID 70711620) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
PubChem CID70711620
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(-n2cc(CN3CCCC(O)C3)c(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-28-19-10-8-17(9-11-19)26-14-16(13-25-12-4-5-18(27)15-25)22(24-26)20-6-2-3-7-21(20)23/h2-3,6-11,14,18,27H,4-5,12-13,15H2,1H3
InChIKeySKZLTZWMMLFBAL-UHFFFAOYSA-N
XLogP4.16
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 95876935
N-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 26393626
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
CID 70785675
N-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,2-dimethyloxan-4-amine
CID 45217445
(4R)-N-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2,2-dimethyloxan-4-amine
CID 42509867
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
CID 45222602
(3R)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 26406111
(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 51634375
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (CID 70711620) is 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is COc1ccc(-n2cc(CN3CCCC(O)C3)c(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is SKZLTZWMMLFBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-28-19-10-8-17(9-11-19)26-14-16(13-25-12-4-5-18(27)15-25)22(24-26)20-6-2-3-7-21(20)23/h2-3,6-11,14,18,27H,4-5,12-13,15H2,1H3.
What are the key properties of 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 397.91 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70711620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).