[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C20H22N4OS — CID 70749861

IUPAC[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)cs1
InChIInChI=1S/C20H22N4OS/c1-14-22-18(13-26-14)20(25)24-9-5-8-16(12-24)19-17(11-21-23-19)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,21,23)
InChIKeyYHYNGCWCIBLPJM-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.79
Rot. Bonds4

About [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 70749861) 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]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID70749861
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)cs1
InChIInChI=1S/C20H22N4OS/c1-14-22-18(13-26-14)20(25)24-9-5-8-16(12-24)19-17(11-21-23-19)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,21,23)
InChIKeyYHYNGCWCIBLPJM-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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Frequently Asked Questions

What is the IUPAC name of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 70749861) is [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)cs1.
What is the InChIKey of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is YHYNGCWCIBLPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-22-18(13-26-14)20(25)24-9-5-8-16(12-24)19-17(11-21-23-19)10-15-6-3-2-4-7-15/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3,(H,21,23).
What are the key properties of [3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-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]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 70749861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).