N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H12Cl2F3N5O2 — CID 167186074

IUPACN-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C16H12Cl2F3N5O2/c1-7(22-14(27)11-6-12(16(19,20)21)24-26(11)2)15-23-13(25-28-15)9-4-3-8(17)5-10(9)18/h3-7H,1-2H3,(H,22,27)/t7-/m1/s1
InChIKeyRBIOACGKHCLMIE-SSDOTTSWSA-N
MW434.21 g/mol
LogP4.29
Rot. Bonds4

About N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167186074) has the molecular formula C16H12Cl2F3N5O2 and a molecular weight of 434.21 g/mol. Its IUPAC name is N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167186074
Molecular FormulaC16H12Cl2F3N5O2
Molecular Weight434.21 g/mol
Exact Mass433.03
IUPAC NameN-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C16H12Cl2F3N5O2/c1-7(22-14(27)11-6-12(16(19,20)21)24-26(11)2)15-23-13(25-28-15)9-4-3-8(17)5-10(9)18/h3-7H,1-2H3,(H,22,27)/t7-/m1/s1
InChIKeyRBIOACGKHCLMIE-SSDOTTSWSA-N
XLogP4.29
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 155272065
CID 155272065
CID 51498797
CID 51498797
CID 155271902
CID 155271902
CID 155271993
CID 155271993
CID 162665533
CID 162665533
CID 162668113
CID 162668113
CID 162668536
CID 162668536
CID 46964364
CID 46964364
CID 51498796
CID 51498796
CID 155272259
CID 155272259
CID 162658526
CID 162658526
CID 71288556
CID 71288556

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167186074) is N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccc(Cl)cc2Cl)no1.
What is the InChIKey of N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RBIOACGKHCLMIE-SSDOTTSWSA-N. The full InChI is InChI=1S/C16H12Cl2F3N5O2/c1-7(22-14(27)11-6-12(16(19,20)21)24-26(11)2)15-23-13(25-28-15)9-4-3-8(17)5-10(9)18/h3-7H,1-2H3,(H,22,27)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 434.21 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167186074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).