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

C20H22N4OS — CID 70717739

IUPAC[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ccc(-c2cn[nH]c2C2CCCN(C(=O)c3cnc(C)s3)C2)cc1
InChIInChI=1S/C20H22N4OS/c1-13-5-7-15(8-6-13)17-10-22-23-19(17)16-4-3-9-24(12-16)20(25)18-11-21-14(2)26-18/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyKKFOUEOJCJITKB-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.17
Rot. Bonds3

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

[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 70717739) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID70717739
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ccc(-c2cn[nH]c2C2CCCN(C(=O)c3cnc(C)s3)C2)cc1
InChIInChI=1S/C20H22N4OS/c1-13-5-7-15(8-6-13)17-10-22-23-19(17)16-4-3-9-24(12-16)20(25)18-11-21-14(2)26-18/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyKKFOUEOJCJITKB-UHFFFAOYSA-N
XLogP4.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (CID 70717739) is [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is Cc1ccc(-c2cn[nH]c2C2CCCN(C(=O)c3cnc(C)s3)C2)cc1.
What is the InChIKey of [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is KKFOUEOJCJITKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13-5-7-15(8-6-13)17-10-22-23-19(17)16-4-3-9-24(12-16)20(25)18-11-21-14(2)26-18/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,22,23).
What are the key properties of [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 366.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 70717739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).