N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane

C37H42F6N10O6 — CID 167625950

IUPACN-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
SMILESC.C.CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(CO)c2)no1.CC(c1nc(-c2cccc(CO)c2)no1)N(C)C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C18H18F3N5O3.C17H16F3N5O3.2CH4/c1-10(16-22-15(24-29-16)12-6-4-5-11(7-12)9-27)25(2)17(28)13-8-14(18(19,20)21)23-26(13)3;1-9(21-15(27)12-7-13(17(18,19)20)23-25(12)2)16-22-14(24-28-16)11-5-3-4-10(6-11)8-26;;/h4-8,10,27H,9H2,1-3H3;3-7,9,26H,8H2,1-2H3,(H,21,27);2*1H4
InChIKeyNCIHBQMRSTZKRO-UHFFFAOYSA-N
MW836.79 g/mol
LogP6.56
Rot. Bonds10

About N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane

N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane (PubChem CID 167625950) has the molecular formula C37H42F6N10O6 and a molecular weight of 836.79 g/mol. Its IUPAC name is N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane.

Molecular Properties

Compound NameN-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
PubChem CID167625950
Molecular FormulaC37H42F6N10O6
Molecular Weight836.79 g/mol
Exact Mass836.32
IUPAC NameN-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane
SMILESC.C.CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(CO)c2)no1.CC(c1nc(-c2cccc(CO)c2)no1)N(C)C(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C18H18F3N5O3.C17H16F3N5O3.2CH4/c1-10(16-22-15(24-29-16)12-6-4-5-11(7-12)9-27)25(2)17(28)13-8-14(18(19,20)21)23-26(13)3;1-9(21-15(27)12-7-13(17(18,19)20)23-25(12)2)16-22-14(24-28-16)11-5-3-4-10(6-11)8-26;;/h4-8,10,27H,9H2,1-3H3;3-7,9,26H,8H2,1-2H3,(H,21,27);2*1H4
InChIKeyNCIHBQMRSTZKRO-UHFFFAOYSA-N
XLogP6.56
TPSA203.35 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500836.79
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane with MolForge

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Related Compounds

1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162663246
[3-[[5-Methyl-3-[3-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenyl]methanol
CID 54591817
2,2-Difluoro-2-[3-[[5-methyl-3-[3-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenyl]ethanol
CID 68212321
2,2-Difluoro-2-[3-[[5-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]phenyl]ethanol
CID 68212455
2,2-Difluoro-2-[3-[[5-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]methyl]phenyl]ethanol
CID 144277233
N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271981
benzyl N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]carbamate
CID 155272013
N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272062
3-[5-[1-[[1-Methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 155272107
Methyl 3-[5-[1-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]ethyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 155272379
N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162768065
N-[1-[3-[3-(dihydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167186151

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane?
The IUPAC name of N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane (CID 167625950) is N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane.
What is the SMILES notation for N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane?
The canonical SMILES for N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane is C.C.CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(CO)c2)no1.CC(c1nc(-c2cccc(CO)c2)no1)N(C)C(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane?
The InChIKey is NCIHBQMRSTZKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O3.C17H16F3N5O3.2CH4/c1-10(16-22-15(24-29-16)12-6-4-5-11(7-12)9-27)25(2)17(28)13-8-14(18(19,20)21)23-26(13)3;1-9(21-15(27)12-7-13(17(18,19)20)23-25(12)2)16-22-14(24-28-16)11-5-3-4-10(6-11)8-26;;/h4-8,10,27H,9H2,1-3H3;3-7,9,26H,8H2,1-2H3,(H,21,27);2*1H4.
What are the key properties of N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane?
N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane has a molecular weight of 836.79 g/mol, XLogP of 6.56, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[1-[3-[3-(hydroxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane is sourced from PubChem (CID 167625950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).