3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C21H24FN5OS — CID 92637059

IUPAC3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nccs2)c(CC2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C21H24FN5OS/c1-26-14-18(20(28)24-21-23-8-11-29-21)19(25-26)12-15-6-9-27(10-7-15)13-16-2-4-17(22)5-3-16/h2-5,8,11,14-15H,6-7,9-10,12-13H2,1H3,(H,23,24,28)
InChIKeyLPKLMDCNENILBJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.72
Rot. Bonds6

About 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 92637059) has the molecular formula C21H24FN5OS and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID92637059
Molecular FormulaC21H24FN5OS
Molecular Weight413.52 g/mol
Exact Mass413.17
IUPAC Name3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nccs2)c(CC2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C21H24FN5OS/c1-26-14-18(20(28)24-21-23-8-11-29-21)19(25-26)12-15-6-9-27(10-7-15)13-16-2-4-17(22)5-3-16/h2-5,8,11,14-15H,6-7,9-10,12-13H2,1H3,(H,23,24,28)
InChIKeyLPKLMDCNENILBJ-UHFFFAOYSA-N
XLogP3.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(tetrazol-1-yl)benzamide
CID 4880417
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
5-Trifluoromethyl-1-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-1H-pyrazole-4-carboxylic acid (3-diethylamino-propyl)-amide
CID 10369377
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide
CID 59252800
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 59252854
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
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 59481280

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 92637059) is 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nccs2)c(CC2CCN(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is LPKLMDCNENILBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5OS/c1-26-14-18(20(28)24-21-23-8-11-29-21)19(25-26)12-15-6-9-27(10-7-15)13-16-2-4-17(22)5-3-16/h2-5,8,11,14-15H,6-7,9-10,12-13H2,1H3,(H,23,24,28).
What are the key properties of 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 92637059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).