[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine

C10H12F3N5O — CID 43559996

IUPAC[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5O/c1-4-6(5(2)18(3)16-4)7(14)8-15-9(19-17-8)10(11,12)13/h7H,14H2,1-3H3
InChIKeyFGDMEPQOLIYLPQ-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.49
Rot. Bonds2

About [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine

[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 43559996) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID43559996
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5O/c1-4-6(5(2)18(3)16-4)7(14)8-15-9(19-17-8)10(11,12)13/h7H,14H2,1-3H3
InChIKeyFGDMEPQOLIYLPQ-UHFFFAOYSA-N
XLogP1.49
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 16191178
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanamide
CID 56865182
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 75498183
(1R)-2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 97098990
1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 164640436
5-Ethyl-3-[[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,2,4-oxadiazole
CID 118171204
1-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 118171275
1-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 124139767
5-ethyl-3-[[3-methyl-4-nitroso-5-(trifluoromethyl)-1H-pyrazol-2-ium-2-yl]methyl]-1,2,4-oxadiazole
CID 144865398
2,2,2-trifluoro-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 71914308
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]acetamide
CID 71981945
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 75477490

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 43559996) is [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1C(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is FGDMEPQOLIYLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c1-4-6(5(2)18(3)16-4)7(14)8-15-9(19-17-8)10(11,12)13/h7H,14H2,1-3H3.
What are the key properties of [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 275.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43559996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).