1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride

C8H9ClF3N5O — CID 54595552

IUPAC1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(Cc2nc(CC(F)(F)F)no2)c1
InChIInChI=1S/C8H8F3N5O.ClH/c9-8(10,11)1-6-14-7(17-15-6)4-16-3-5(12)2-13-16;/h2-3H,1,4,12H2;1H
InChIKeyBQSVIYIBQJWCEZ-UHFFFAOYSA-N
MW283.64 g/mol
LogP1.42
Rot. Bonds3

About 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride

1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride (PubChem CID 54595552) has the molecular formula C8H9ClF3N5O and a molecular weight of 283.64 g/mol. Its IUPAC name is 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride
PubChem CID54595552
Molecular FormulaC8H9ClF3N5O
Molecular Weight283.64 g/mol
Exact Mass283.04
IUPAC Name1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(Cc2nc(CC(F)(F)F)no2)c1
InChIInChI=1S/C8H8F3N5O.ClH/c9-8(10,11)1-6-14-7(17-15-6)4-16-3-5(12)2-13-16;/h2-3H,1,4,12H2;1H
InChIKeyBQSVIYIBQJWCEZ-UHFFFAOYSA-N
XLogP1.42
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride (CID 54595552) is 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(Cc2nc(CC(F)(F)F)no2)c1.
What is the InChIKey of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is BQSVIYIBQJWCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O.ClH/c9-8(10,11)1-6-14-7(17-15-6)4-16-3-5(12)2-13-16;/h2-3H,1,4,12H2;1H.
What are the key properties of 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride?
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 283.64 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 54595552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).