[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C21H24N4OS — CID 95223362

IUPAC[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cs1
InChIInChI=1S/C21H24N4OS/c1-2-7-19-23-18(14-27-19)21(26)25-11-6-10-16(13-25)20-17(12-22-24-20)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,2,6-7,10-11,13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyYGUPXQFGDYCZJH-MRXNPFEDSA-N
MW380.52 g/mol
LogP4.51
Rot. Bonds5

About [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 95223362) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID95223362
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cs1
InChIInChI=1S/C21H24N4OS/c1-2-7-19-23-18(14-27-19)21(26)25-11-6-10-16(13-25)20-17(12-22-24-20)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,2,6-7,10-11,13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyYGUPXQFGDYCZJH-MRXNPFEDSA-N
XLogP4.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

2-amino-2-methyl-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56744023
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118844
(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95188060
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97131598
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222377
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56738871
(2-methoxypyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95226344
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95840214
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 95223362) is [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cs1.
What is the InChIKey of [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is YGUPXQFGDYCZJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-2-7-19-23-18(14-27-19)21(26)25-11-6-10-16(13-25)20-17(12-22-24-20)15-8-4-3-5-9-15/h3-5,8-9,12,14,16H,2,6-7,10-11,13H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 380.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95223362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).