methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate

C22H23N3O2 — CID 118404812

IUPACmethyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate
SMILESCOC(=O)c1cccc(-n2ccc(-c3ccc(N4CCCCC4)cc3)n2)c1
InChIInChI=1S/C22H23N3O2/c1-27-22(26)18-6-5-7-20(16-18)25-15-12-21(23-25)17-8-10-19(11-9-17)24-13-3-2-4-14-24/h5-12,15-16H,2-4,13-14H2,1H3
InChIKeyLOISZNYGQZKGQL-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.32
Rot. Bonds4

About methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate

methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate (PubChem CID 118404812) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate
PubChem CID118404812
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Namemethyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate
SMILESCOC(=O)c1cccc(-n2ccc(-c3ccc(N4CCCCC4)cc3)n2)c1
InChIInChI=1S/C22H23N3O2/c1-27-22(26)18-6-5-7-20(16-18)25-15-12-21(23-25)17-8-10-19(11-9-17)24-13-3-2-4-14-24/h5-12,15-16H,2-4,13-14H2,1H3
InChIKeyLOISZNYGQZKGQL-UHFFFAOYSA-N
XLogP4.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-(4-chlorophenyl)pyrazol-1-yl]benzoate
CID 11709408
methyl 1-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylate
CID 168512721
methyl 3-[3-(bromomethyl)pyrazol-1-yl]benzoate
CID 84617522
3-[1-(4-methylphenyl)pyrazol-3-yl]benzoic acid
CID 58156745
1-(3-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 18613364
methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 24993510
methyl 4-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 113078493
methyl 3-[3-(1-methylpyrazol-3-yl)phenyl]benzoate
CID 56858913
methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
CID 113078439
methyl 3-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 51110852
3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate?
The IUPAC name of methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate (CID 118404812) is methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate.
What is the SMILES notation for methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate?
The canonical SMILES for methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate is COC(=O)c1cccc(-n2ccc(-c3ccc(N4CCCCC4)cc3)n2)c1.
What is the InChIKey of methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate?
The InChIKey is LOISZNYGQZKGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-22(26)18-6-5-7-20(16-18)25-15-12-21(23-25)17-8-10-19(11-9-17)24-13-3-2-4-14-24/h5-12,15-16H,2-4,13-14H2,1H3.
What are the key properties of methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate?
methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate has a molecular weight of 361.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(4-piperidin-1-ylphenyl)pyrazol-1-yl]benzoate is sourced from PubChem (CID 118404812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).