1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C9H8F3N5O2 — CID 134355002

IUPAC1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ncno2)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5O2/c1-17-3-5(7(16-17)9(10,11)12)8(18)13-2-6-14-4-15-19-6/h3-4H,2H2,1H3,(H,13,18)
InChIKeyXJJGNTJSYLCGNA-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.75
Rot. Bonds3

About 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134355002) has the molecular formula C9H8F3N5O2 and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134355002
Molecular FormulaC9H8F3N5O2
Molecular Weight275.19 g/mol
Exact Mass275.06
IUPAC Name1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ncno2)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5O2/c1-17-3-5(7(16-17)9(10,11)12)8(18)13-2-6-14-4-15-19-6/h3-4H,2H2,1H3,(H,13,18)
InChIKeyXJJGNTJSYLCGNA-UHFFFAOYSA-N
XLogP0.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72903199
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 124217652
1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 164640436
5-(difluoromethyl)-N-[1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-1-(2-methylpropyl)-1H-pyrazole-4-carboxamide
CID 75391143
N-[(1S)-3-amino-3-oxo-1-[3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 134354918
acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine
CID 142305383
5-[1-Methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 155681871
1-tert-butyl-N-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 47080371
N-[2-[5-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 75391271
1,5-dimethyl-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1H-pyrazole-4-carboxamide
CID 119068401
1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120869257
1-[5-[1-tert-butyl-5-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869258

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 134355002) is 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ncno2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XJJGNTJSYLCGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2/c1-17-3-5(7(16-17)9(10,11)12)8(18)13-2-6-14-4-15-19-6/h3-4H,2H2,1H3,(H,13,18).
What are the key properties of 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 275.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134355002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).