N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide

C23H23F6N5OS — CID 10437052

IUPACN-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F
InChIInChI=1S/C23H23F6N5OS/c24-22(25,26)16-7-4-6-15(12-16)18-14-36-21(32-18)34-19(23(27,28)29)17(13-31-34)20(35)30-8-5-11-33-9-2-1-3-10-33/h4,6-7,12-14H,1-3,5,8-11H2,(H,30,35)
InChIKeyOIGDXAKQNTUARS-UHFFFAOYSA-N
MW531.53 g/mol
LogP5.64
Rot. Bonds7

About N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide

N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 10437052) has the molecular formula C23H23F6N5OS and a molecular weight of 531.53 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID10437052
Molecular FormulaC23H23F6N5OS
Molecular Weight531.53 g/mol
Exact Mass531.15
IUPAC NameN-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F
InChIInChI=1S/C23H23F6N5OS/c24-22(25,26)16-7-4-6-15(12-16)18-14-36-21(32-18)34-19(23(27,28)29)17(13-31-34)20(35)30-8-5-11-33-9-2-1-3-10-33/h4,6-7,12-14H,1-3,5,8-11H2,(H,30,35)
InChIKeyOIGDXAKQNTUARS-UHFFFAOYSA-N
XLogP5.64
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155527522
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoro-2-pyridinyl)-3-methylpyrazole-4-carboxamide;dihydrochloride
CID 155530853
N-[4-cyclobutyl-5-(2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]-1-(5-fluoro-2-pyridinyl)-5-methylpyrazole-4-carboxamide;dihydrochloride
CID 155564707
N-(3-Hydroxypropyl)-5-methyl-1-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 9953357
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
2-[1-[1-(4-fluorophenyl)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 44192371
4-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl)-3-(4-(pyridin-3-yl)thiazol-2-ylamino)benzamide
CID 51030714
4-methyl-2-[5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 57919836
2-[1-[(3,5-difluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 57919928
4-methyl-2-(5-oxo-1-(4-(trifluoromethyl)benzyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 58031447
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481190
N-((1H-pyrazol-3-yl)methyl)-2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methylthiazole-5-carboxamide
CID 59481285

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 10437052) is N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is O=C(NCCCN1CCCCC1)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is OIGDXAKQNTUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F6N5OS/c24-22(25,26)16-7-4-6-15(12-16)18-14-36-21(32-18)34-19(23(27,28)29)17(13-31-34)20(35)30-8-5-11-33-9-2-1-3-10-33/h4,6-7,12-14H,1-3,5,8-11H2,(H,30,35).
What are the key properties of N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 531.53 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 10437052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).