[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C20H22N4OS — CID 70746215

IUPAC[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1
InChIInChI=1S/C20H22N4OS/c1-14-19(26-13-21-14)20(25)24-9-5-8-16(12-24)18-17(11-22-23-18)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,22,23)
InChIKeyDHJQCRXLRNYQMV-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.79
Rot. Bonds4

About [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 70746215) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID70746215
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1
InChIInChI=1S/C20H22N4OS/c1-14-19(26-13-21-14)20(25)24-9-5-8-16(12-24)18-17(11-22-23-18)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,22,23)
InChIKeyDHJQCRXLRNYQMV-UHFFFAOYSA-N
XLogP3.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95204664
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95197421
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95225899
6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218749
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56700469
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126467483
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95188191

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 70746215) is [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCCC(c2[nH]ncc2Cc2ccccc2)C1.
What is the InChIKey of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is DHJQCRXLRNYQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-19(26-13-21-14)20(25)24-9-5-8-16(12-24)18-17(11-22-23-18)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,22,23).
What are the key properties of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 366.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 70746215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).