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

C16H21F3N6O2 — CID 166099548

IUPAC1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(N2CCCC[C@H]2C)no1
InChIInChI=1S/C16H21F3N6O2/c1-9-6-4-5-7-25(9)15-21-14(27-23-15)10(2)20-13(26)11-8-12(16(17,18)19)22-24(11)3/h8-10H,4-7H2,1-3H3,(H,20,26)/t9-,10+/m1/s1
InChIKeyGYYNPCHFTPLEGR-ZJUUUORDSA-N
MW386.38 g/mol
LogP2.69
Rot. Bonds4

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

1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 166099548) has the molecular formula C16H21F3N6O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID166099548
Molecular FormulaC16H21F3N6O2
Molecular Weight386.38 g/mol
Exact Mass386.17
IUPAC Name1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(N2CCCC[C@H]2C)no1
InChIInChI=1S/C16H21F3N6O2/c1-9-6-4-5-7-25(9)15-21-14(27-23-15)10(2)20-13(26)11-8-12(16(17,18)19)22-24(11)3/h8-10H,4-7H2,1-3H3,(H,20,26)/t9-,10+/m1/s1
InChIKeyGYYNPCHFTPLEGR-ZJUUUORDSA-N
XLogP2.69
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[(1S)-1-[3-(3-methylpyrrolidin-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166099630
1-methyl-N-[(1S)-1-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271847
N-[(1S)-1-[3-(2-cyclobutyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272367
N-[(1S)-1-[3-(2-cyclopropyloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271733
N-[1-[3-(6-cyclopropylpyridazin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272292
N-[(1S)-1-[3-(benzylamino)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166099640
N-[(1S)-1-[3-(2-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271905
1-methyl-N-[(1S)-1-(3-piperidin-1-yl-1,2,4-thiadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166760923
N-[(1S)-1-[3-(3-cyanophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167186039
N-[1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272405
N-[1-[3-(cyclopentylamino)-1-methylpyrazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169262909
(1S)-1-[3-[(2S)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 166099581

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 166099548) is 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(N2CCCC[C@H]2C)no1.
What is the InChIKey of 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GYYNPCHFTPLEGR-ZJUUUORDSA-N. The full InChI is InChI=1S/C16H21F3N6O2/c1-9-6-4-5-7-25(9)15-21-14(27-23-15)10(2)20-13(26)11-8-12(16(17,18)19)22-24(11)3/h8-10H,4-7H2,1-3H3,(H,20,26)/t9-,10+/m1/s1.
What are the key properties of 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-[3-[(2R)-2-methylpiperidin-1-yl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 166099548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).