[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C17H19Cl2N3O2 — CID 136521082

IUPAC[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C(O)C2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N3O2/c1-10-5-6-21(9-16(10)23)17(24)15-7-11(2)22(20-15)12-3-4-13(18)14(19)8-12/h3-4,7-8,10,16,23H,5-6,9H2,1-2H3
InChIKeyWMIMSHGFNWOZOG-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.33
Rot. Bonds2

About [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone

[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 136521082) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID136521082
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C(O)C2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H19Cl2N3O2/c1-10-5-6-21(9-16(10)23)17(24)15-7-11(2)22(20-15)12-3-4-13(18)14(19)8-12/h3-4,7-8,10,16,23H,5-6,9H2,1-2H3
InChIKeyWMIMSHGFNWOZOG-UHFFFAOYSA-N
XLogP3.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 167924767
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120533881
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117129
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
(4-chloroquinolin-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957022
[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997379
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 119636938
[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110373220
1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide
CID 167757303
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
1-(4-bromo-3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 107613689

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 136521082) is [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C)C(O)C2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is WMIMSHGFNWOZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-10-5-6-21(9-16(10)23)17(24)15-7-11(2)22(20-15)12-3-4-13(18)14(19)8-12/h3-4,7-8,10,16,23H,5-6,9H2,1-2H3.
What are the key properties of [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 368.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 136521082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).