1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C15H14F3N7O2 — CID 155272012

IUPAC1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ncn1
InChIInChI=1S/C15H14F3N7O2/c1-7-4-9(20-6-19-7)12-22-14(27-24-12)8(2)21-13(26)10-5-11(15(16,17)18)23-25(10)3/h4-6,8H,1-3H3,(H,21,26)/t8-/m0/s1
InChIKeyUQFSXQGGIHHGFL-QMMMGPOBSA-N
MW381.32 g/mol
LogP2.08
Rot. Bonds4

About 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 155272012) has the molecular formula C15H14F3N7O2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID155272012
Molecular FormulaC15H14F3N7O2
Molecular Weight381.32 g/mol
Exact Mass381.12
IUPAC Name1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ncn1
InChIInChI=1S/C15H14F3N7O2/c1-7-4-9(20-6-19-7)12-22-14(27-24-12)8(2)21-13(26)10-5-11(15(16,17)18)23-25(10)3/h4-6,8H,1-3H3,(H,21,26)/t8-/m0/s1
InChIKeyUQFSXQGGIHHGFL-QMMMGPOBSA-N
XLogP2.08
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 155272012) is 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-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-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ncn1.
What is the InChIKey of 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is UQFSXQGGIHHGFL-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H14F3N7O2/c1-7-4-9(20-6-19-7)12-22-14(27-24-12)8(2)21-13(26)10-5-11(15(16,17)18)23-25(10)3/h4-6,8H,1-3H3,(H,21,26)/t8-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 381.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-[3-(6-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 155272012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).