[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H22N6OS — CID 42098177

IUPAC[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)n(Cc2cc(C(=O)N3CCCC[C@H]3c3nccs3)n[nH]2)n1
InChIInChI=1S/C18H22N6OS/c1-12-9-13(2)24(22-12)11-14-10-15(21-20-14)18(25)23-7-4-3-5-16(23)17-19-6-8-26-17/h6,8-10,16H,3-5,7,11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyYCDRTEQLYFYWFN-INIZCTEOSA-N
MW370.48 g/mol
LogP3.10
Rot. Bonds4

About [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 42098177) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID42098177
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C)n(Cc2cc(C(=O)N3CCCC[C@H]3c3nccs3)n[nH]2)n1
InChIInChI=1S/C18H22N6OS/c1-12-9-13(2)24(22-12)11-14-10-15(21-20-14)18(25)23-7-4-3-5-16(23)17-19-6-8-26-17/h6,8-10,16H,3-5,7,11H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyYCDRTEQLYFYWFN-INIZCTEOSA-N
XLogP3.10
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 56757941
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 95351418
ethyl (3R)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 42529647
ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 45213629
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95201172
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719
methyl 2-ethyl-4-methyl-5-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate
CID 102556444
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119069341

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 42098177) is [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1cc(C)n(Cc2cc(C(=O)N3CCCC[C@H]3c3nccs3)n[nH]2)n1.
What is the InChIKey of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is YCDRTEQLYFYWFN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-12-9-13(2)24(22-12)11-14-10-15(21-20-14)18(25)23-7-4-3-5-16(23)17-19-6-8-26-17/h6,8-10,16H,3-5,7,11H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 42098177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).