1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one

C24H25F3N4O2S — CID 67467999

IUPAC1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)CCc3ccccc3)cs2)CC1
InChIInChI=1S/C24H25F3N4O2S/c1-16-13-21(24(25,26)27)29-31(16)14-22(33)30-11-9-18(10-12-30)23-28-19(15-34-23)20(32)8-7-17-5-3-2-4-6-17/h2-6,13,15,18H,7-12,14H2,1H3
InChIKeyINOGGNDQGAULOZ-UHFFFAOYSA-N
MW490.55 g/mol
LogP4.89
Rot. Bonds7

About 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one

1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one (PubChem CID 67467999) has the molecular formula C24H25F3N4O2S and a molecular weight of 490.55 g/mol. Its IUPAC name is 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one
PubChem CID67467999
Molecular FormulaC24H25F3N4O2S
Molecular Weight490.55 g/mol
Exact Mass490.17
IUPAC Name1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)CCc3ccccc3)cs2)CC1
InChIInChI=1S/C24H25F3N4O2S/c1-16-13-21(24(25,26)27)29-31(16)14-22(33)30-11-9-18(10-12-30)23-28-19(15-34-23)20(32)8-7-17-5-3-2-4-6-17/h2-6,13,15,18H,7-12,14H2,1H3
InChIKeyINOGGNDQGAULOZ-UHFFFAOYSA-N
XLogP4.89
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one (CID 67467999) is 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)CCc3ccccc3)cs2)CC1.
What is the InChIKey of 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one?
The InChIKey is INOGGNDQGAULOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2S/c1-16-13-21(24(25,26)27)29-31(16)14-22(33)30-11-9-18(10-12-30)23-28-19(15-34-23)20(32)8-7-17-5-3-2-4-6-17/h2-6,13,15,18H,7-12,14H2,1H3.
What are the key properties of 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one?
1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one has a molecular weight of 490.55 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 67467999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).