1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide

C21H17ClF3N5O2 — CID 52880413

IUPAC1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H17ClF3N5O2/c1-28(12-19-26-7-8-29(19)13-21(23,24)25)20(31)16-11-17(18-6-3-9-32-18)30(27-16)15-5-2-4-14(22)10-15/h2-11H,12-13H2,1H3
InChIKeyUEHKNCKUYSEION-UHFFFAOYSA-N
MW463.85 g/mol
LogP4.82
Rot. Bonds6

About 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 52880413) has the molecular formula C21H17ClF3N5O2 and a molecular weight of 463.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID52880413
Molecular FormulaC21H17ClF3N5O2
Molecular Weight463.85 g/mol
Exact Mass463.10
IUPAC Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H17ClF3N5O2/c1-28(12-19-26-7-8-29(19)13-21(23,24)25)20(31)16-11-17(18-6-3-9-32-18)30(27-16)15-5-2-4-14(22)10-15/h2-11H,12-13H2,1H3
InChIKeyUEHKNCKUYSEION-UHFFFAOYSA-N
XLogP4.82
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.85
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-dimethyl-4-pyrazolyl)methyl]-5-(2-furanyl)-N-methyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 651902
3-chloro-5-(furan-2-yl)-N-methyl-N-(2-pyridin-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113762
N-(1,3-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165089
3-Chloro-5-(2-furyl)-2-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1113775
[4-(3-Chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 6615987
3-chloro-N-(2-chloropyridin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113763
3-chloro-N-cyclohexyl-5-(2-furyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113776
3-chloro-5-(2-furyl)-N-(3-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113787
3-chloro-5-(2-furyl)-N-[3-(1H-imidazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2870990
5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148174
2-(4-Chlorophenyl)-1-[5-(furan-2-YL)-7-(trifluoromethyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]pyrrolidine
CID 20895552
1-(2,6-difluorophenyl)-3-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)urea
CID 76148391

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide (CID 52880413) is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide is CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is UEHKNCKUYSEION-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O2/c1-28(12-19-26-7-8-29(19)13-21(23,24)25)20(31)16-11-17(18-6-3-9-32-18)30(27-16)15-5-2-4-14(22)10-15/h2-11H,12-13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 463.85 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 52880413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).