4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C7H6F3N5O — CID 123533082

IUPAC4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1nc(C(F)(F)F)no1
InChIInChI=1S/C7H6F3N5O/c1-2-3(13-14-4(2)11)5-12-6(15-16-5)7(8,9)10/h1H3,(H3,11,13,14)
InChIKeySZSXZKQWHAEUPX-UHFFFAOYSA-N
MW233.15 g/mol
LogP1.37
Rot. Bonds1

About 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 123533082) has the molecular formula C7H6F3N5O and a molecular weight of 233.15 g/mol. Its IUPAC name is 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID123533082
Molecular FormulaC7H6F3N5O
Molecular Weight233.15 g/mol
Exact Mass233.05
IUPAC Name4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1nc(C(F)(F)F)no1
InChIInChI=1S/C7H6F3N5O/c1-2-3(13-14-4(2)11)5-12-6(15-16-5)7(8,9)10/h1H3,(H3,11,13,14)
InChIKeySZSXZKQWHAEUPX-UHFFFAOYSA-N
XLogP1.37
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 123533082) is 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1-c1nc(C(F)(F)F)no1.
What is the InChIKey of 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is SZSXZKQWHAEUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N5O/c1-2-3(13-14-4(2)11)5-12-6(15-16-5)7(8,9)10/h1H3,(H3,11,13,14).
What are the key properties of 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 233.15 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 123533082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).