(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C20H21ClN4OS — CID 56544545

IUPAC(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C20H21ClN4OS/c1-14-17(18(21)25(23-14)12-15-6-3-2-4-7-15)20(26)24-10-5-8-16(13-24)19-22-9-11-27-19/h2-4,6-7,9,11,16H,5,8,10,12-13H2,1H3
InChIKeyMVAHVTYGYOYVOK-UHFFFAOYSA-N
MW400.94 g/mol
LogP4.37
Rot. Bonds4

About (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56544545) has the molecular formula C20H21ClN4OS and a molecular weight of 400.94 g/mol. Its IUPAC name is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID56544545
Molecular FormulaC20H21ClN4OS
Molecular Weight400.94 g/mol
Exact Mass400.11
IUPAC Name(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCCC(c2nccs2)C1
InChIInChI=1S/C20H21ClN4OS/c1-14-17(18(21)25(23-14)12-15-6-3-2-4-7-15)20(26)24-10-5-8-16(13-24)19-22-9-11-27-19/h2-4,6-7,9,11,16H,5,8,10,12-13H2,1H3
InChIKeyMVAHVTYGYOYVOK-UHFFFAOYSA-N
XLogP4.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.94
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 95900961
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694905
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427
(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532971
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18282347
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885180
(1-propylpyrazol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247587
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124987262
6-methyl-2-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 124553977
(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762121
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86935527

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56544545) is (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCCC(c2nccs2)C1.
What is the InChIKey of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is MVAHVTYGYOYVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4OS/c1-14-17(18(21)25(23-14)12-15-6-3-2-4-7-15)20(26)24-10-5-8-16(13-24)19-22-9-11-27-19/h2-4,6-7,9,11,16H,5,8,10,12-13H2,1H3.
What are the key properties of (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 400.94 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56544545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).