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

C17H16F3N5O2 — CID 162663246

IUPAC1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cccc(-c2nc(C(C)NC(=O)c3cc(C(F)(F)F)nn3C)no2)c1
InChIInChI=1S/C17H16F3N5O2/c1-9-5-4-6-11(7-9)16-22-14(24-27-16)10(2)21-15(26)12-8-13(17(18,19)20)23-25(12)3/h4-8,10H,1-3H3,(H,21,26)
InChIKeyGAGNKCLGXSKFRO-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.29
Rot. Bonds4

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

1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 162663246) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID162663246
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cccc(-c2nc(C(C)NC(=O)c3cc(C(F)(F)F)nn3C)no2)c1
InChIInChI=1S/C17H16F3N5O2/c1-9-5-4-6-11(7-9)16-22-14(24-27-16)10(2)21-15(26)12-8-13(17(18,19)20)23-25(12)3/h4-8,10H,1-3H3,(H,21,26)
InChIKeyGAGNKCLGXSKFRO-UHFFFAOYSA-N
XLogP3.29
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 162663246) is 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cccc(-c2nc(C(C)NC(=O)c3cc(C(F)(F)F)nn3C)no2)c1.
What is the InChIKey of 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GAGNKCLGXSKFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-9-5-4-6-11(7-9)16-22-14(24-27-16)10(2)21-15(26)12-8-13(17(18,19)20)23-25(12)3/h4-8,10H,1-3H3,(H,21,26).
What are the key properties of 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 162663246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).