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

C15H13F3N6O2 — CID 162652845

IUPAC1-methyl-N-[(1S)-1-(3-pyridin-4-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(-c2ccncc2)no1
InChIInChI=1S/C15H13F3N6O2/c1-8(14-21-12(23-26-14)9-3-5-19-6-4-9)20-13(25)10-7-11(15(16,17)18)22-24(10)2/h3-8H,1-2H3,(H,20,25)/t8-/m0/s1
InChIKeyRCUWTVCFFBKGKP-QMMMGPOBSA-N
MW366.30 g/mol
LogP2.37
Rot. Bonds4

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

1-methyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 162652845) has the molecular formula C15H13F3N6O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID162652845
Molecular FormulaC15H13F3N6O2
Molecular Weight366.30 g/mol
Exact Mass366.11
IUPAC Name1-methyl-N-[(1S)-1-(3-pyridin-4-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(-c2ccncc2)no1
InChIInChI=1S/C15H13F3N6O2/c1-8(14-21-12(23-26-14)9-3-5-19-6-4-9)20-13(25)10-7-11(15(16,17)18)22-24(10)2/h3-8H,1-2H3,(H,20,25)/t8-/m0/s1
InChIKeyRCUWTVCFFBKGKP-QMMMGPOBSA-N
XLogP2.37
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 162652845) is 1-methyl-N-[(1S)-1-(3-pyridin-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-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-(3-pyridin-4-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(-c2ccncc2)no1.
What is the InChIKey of 1-methyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RCUWTVCFFBKGKP-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H13F3N6O2/c1-8(14-21-12(23-26-14)9-3-5-19-6-4-9)20-13(25)10-7-11(15(16,17)18)22-24(10)2/h3-8H,1-2H3,(H,20,25)/t8-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 366.30 g/mol, XLogP of 2.37, 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-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 162652845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).