1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide

C21H17ClF3N5O2 — CID 52880412

IUPAC1-(4-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(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H17ClF3N5O2/c1-28(12-19-26-8-9-29(19)13-21(23,24)25)20(31)16-11-17(18-3-2-10-32-18)30(27-16)15-6-4-14(22)5-7-15/h2-11H,12-13H2,1H3
InChIKeyLQONZBOLHFUAJZ-UHFFFAOYSA-N
MW463.85 g/mol
LogP4.82
Rot. Bonds6

About 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 52880412) has the molecular formula C21H17ClF3N5O2 and a molecular weight of 463.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID52880412
Molecular FormulaC21H17ClF3N5O2
Molecular Weight463.85 g/mol
Exact Mass463.10
IUPAC Name1-(4-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(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H17ClF3N5O2/c1-28(12-19-26-8-9-29(19)13-21(23,24)25)20(31)16-11-17(18-3-2-10-32-18)30(27-16)15-6-4-14(22)5-7-15/h2-11H,12-13H2,1H3
InChIKeyLQONZBOLHFUAJZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-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-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide (CID 52880412) is 1-(4-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-(4-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-(4-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(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is LQONZBOLHFUAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O2/c1-28(12-19-26-8-9-29(19)13-21(23,24)25)20(31)16-11-17(18-3-2-10-32-18)30(27-16)15-6-4-14(22)5-7-15/h2-11H,12-13H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrazole-3-carboxamide?
1-(4-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-(4-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 52880412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).